USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 779 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -127:sc= 0.0442 (180deg=-0.366) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0.456 USER MOD Set 2.1: A 26 THR OG1 : rot 49:sc= 0.957 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -6.61! X(o=-5.7!,f=-5.5) USER MOD Set 3.1: A 24 TYR OH : rot -113:sc= 0.00166 USER MOD Set 3.2: A 38 SER OG : rot -37:sc= 0.054 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.12 (180deg=-0.569) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 67:sc= 1.34 USER MOD Single : A 21 SER OG : rot -179:sc= -0.206 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 62:sc= 0.503 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.21! C(o=-3.2!,f=-14!) USER MOD Single : A 57 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.0105 (180deg=0.00257) USER MOD Single : A 65 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.907 K(o=0.91,f=-0.048) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 41:sc= 0.193 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.584 1.671 -0.214 1.00 0.00 N ATOM 2 CA MET A 1 2.986 0.927 -1.402 1.00 0.00 C ATOM 3 C MET A 1 1.817 0.776 -2.371 1.00 0.00 C ATOM 4 O MET A 1 0.723 0.374 -1.978 1.00 0.00 O ATOM 5 CB MET A 1 3.519 -0.453 -1.010 1.00 0.00 C ATOM 6 CG MET A 1 4.386 -0.437 0.239 1.00 0.00 C ATOM 7 SD MET A 1 4.994 -2.075 0.683 1.00 0.00 S ATOM 8 CE MET A 1 6.511 -1.652 1.537 1.00 0.00 C ATOM 0 H1 MET A 1 3.430 2.025 0.277 1.00 0.00 H new ATOM 0 H2 MET A 1 1.985 2.474 -0.493 1.00 0.00 H new ATOM 0 H3 MET A 1 2.050 1.046 0.423 1.00 0.00 H new ATOM 0 HA MET A 1 3.778 1.487 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.677 -1.127 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.098 -0.859 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.233 0.230 0.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.811 -0.029 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.005 -2.563 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.171 -1.111 0.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.281 -1.024 2.398 1.00 0.00 H new ATOM 18 N GLU A 2 2.057 1.103 -3.637 1.00 0.00 N ATOM 19 CA GLU A 2 1.023 1.004 -4.660 1.00 0.00 C ATOM 20 C GLU A 2 1.394 -0.039 -5.710 1.00 0.00 C ATOM 21 O GLU A 2 2.426 -0.703 -5.604 1.00 0.00 O ATOM 22 CB GLU A 2 0.805 2.363 -5.329 1.00 0.00 C ATOM 23 CG GLU A 2 1.870 2.714 -6.354 1.00 0.00 C ATOM 24 CD GLU A 2 1.387 2.540 -7.781 1.00 0.00 C ATOM 25 OE1 GLU A 2 0.198 2.818 -8.043 1.00 0.00 O ATOM 26 OE2 GLU A 2 2.198 2.126 -8.635 1.00 0.00 O ATOM 0 H GLU A 2 2.958 1.438 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 2 0.097 0.693 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.171 2.367 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.782 3.137 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.186 3.746 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.746 2.086 -6.192 1.00 0.00 H new ATOM 33 N LEU A 3 0.546 -0.177 -6.723 1.00 0.00 N ATOM 34 CA LEU A 3 0.784 -1.139 -7.794 1.00 0.00 C ATOM 35 C LEU A 3 1.155 -0.429 -9.092 1.00 0.00 C ATOM 36 O LEU A 3 0.375 0.358 -9.625 1.00 0.00 O ATOM 37 CB LEU A 3 -0.457 -2.007 -8.011 1.00 0.00 C ATOM 38 CG LEU A 3 -0.350 -3.460 -7.547 1.00 0.00 C ATOM 39 CD1 LEU A 3 0.563 -4.249 -8.471 1.00 0.00 C ATOM 40 CD2 LEU A 3 0.153 -3.526 -6.112 1.00 0.00 C ATOM 0 H LEU A 3 -0.312 0.365 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 3 1.618 -1.775 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.296 -1.542 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.697 -2.003 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.343 -3.907 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.627 -5.281 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.160 -4.230 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.557 -3.803 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.223 -4.568 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.137 -3.061 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.540 -2.996 -5.459 1.00 0.00 H new ATOM 52 N ALA A 4 2.352 -0.715 -9.595 1.00 0.00 N ATOM 53 CA ALA A 4 2.825 -0.107 -10.832 1.00 0.00 C ATOM 54 C ALA A 4 3.266 -1.170 -11.832 1.00 0.00 C ATOM 55 O ALA A 4 4.089 -2.030 -11.517 1.00 0.00 O ATOM 56 CB ALA A 4 3.968 0.855 -10.544 1.00 0.00 C ATOM 0 H ALA A 4 3.011 -1.364 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 4 1.998 0.450 -11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.311 1.302 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.622 1.640 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.790 0.313 -10.077 1.00 0.00 H new ATOM 62 N VAL A 5 2.713 -1.107 -13.039 1.00 0.00 N ATOM 63 CA VAL A 5 3.050 -2.064 -14.086 1.00 0.00 C ATOM 64 C VAL A 5 3.320 -1.358 -15.410 1.00 0.00 C ATOM 65 O VAL A 5 2.723 -0.322 -15.706 1.00 0.00 O ATOM 66 CB VAL A 5 1.924 -3.096 -14.287 1.00 0.00 C ATOM 67 CG1 VAL A 5 2.463 -4.352 -14.954 1.00 0.00 C ATOM 68 CG2 VAL A 5 1.265 -3.430 -12.957 1.00 0.00 C ATOM 0 H VAL A 5 2.029 -0.403 -13.316 1.00 0.00 H new ATOM 0 HA VAL A 5 3.953 -2.581 -13.763 1.00 0.00 H new ATOM 0 HB VAL A 5 1.169 -2.661 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.653 -5.069 -15.088 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.885 -4.096 -15.926 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.238 -4.793 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.472 -4.160 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.009 -3.845 -12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.842 -2.524 -12.523 1.00 0.00 H new ATOM 78 N ILE A 6 4.221 -1.926 -16.204 1.00 0.00 N ATOM 79 CA ILE A 6 4.569 -1.352 -17.498 1.00 0.00 C ATOM 80 C ILE A 6 4.552 -2.413 -18.593 1.00 0.00 C ATOM 81 O ILE A 6 5.493 -3.194 -18.729 1.00 0.00 O ATOM 82 CB ILE A 6 5.958 -0.687 -17.464 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.982 0.441 -16.431 1.00 0.00 C ATOM 84 CG2 ILE A 6 6.325 -0.158 -18.843 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.367 0.750 -15.907 1.00 0.00 C ATOM 0 H ILE A 6 4.723 -2.783 -15.974 1.00 0.00 H new ATOM 0 HA ILE A 6 3.818 -0.594 -17.719 1.00 0.00 H new ATOM 0 HB ILE A 6 6.696 -1.435 -17.174 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.562 1.342 -16.879 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.338 0.171 -15.594 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.309 0.309 -18.803 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.343 -0.982 -19.556 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.586 0.579 -19.159 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.308 1.559 -15.179 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.782 -0.138 -15.430 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.010 1.052 -16.734 1.00 0.00 H new ATOM 97 N GLY A 7 3.475 -2.434 -19.373 1.00 0.00 N ATOM 98 CA GLY A 7 3.357 -3.402 -20.447 1.00 0.00 C ATOM 99 C GLY A 7 2.698 -2.820 -21.682 1.00 0.00 C ATOM 100 O GLY A 7 3.109 -1.771 -22.179 1.00 0.00 O ATOM 0 H GLY A 7 2.683 -1.798 -19.280 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.348 -3.773 -20.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.778 -4.258 -20.099 1.00 0.00 H new ATOM 104 N LYS A 8 1.672 -3.502 -22.181 1.00 0.00 N ATOM 105 CA LYS A 8 0.954 -3.048 -23.366 1.00 0.00 C ATOM 106 C LYS A 8 -0.475 -2.648 -23.016 1.00 0.00 C ATOM 107 O LYS A 8 -0.919 -2.824 -21.881 1.00 0.00 O ATOM 108 CB LYS A 8 0.941 -4.146 -24.431 1.00 0.00 C ATOM 109 CG LYS A 8 0.639 -5.528 -23.877 1.00 0.00 C ATOM 110 CD LYS A 8 0.769 -6.598 -24.948 1.00 0.00 C ATOM 111 CE LYS A 8 2.107 -7.316 -24.859 1.00 0.00 C ATOM 112 NZ LYS A 8 2.809 -7.344 -26.172 1.00 0.00 N ATOM 0 H LYS A 8 1.319 -4.372 -21.782 1.00 0.00 H new ATOM 0 HA LYS A 8 1.471 -2.173 -23.761 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.198 -3.897 -25.188 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.910 -4.168 -24.930 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.321 -5.749 -23.056 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.370 -5.544 -23.466 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.040 -7.320 -24.842 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.664 -6.143 -25.933 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.737 -6.820 -24.121 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.949 -8.336 -24.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.716 -7.842 -26.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.219 -7.840 -26.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.982 -6.370 -26.494 1.00 0.00 H new ATOM 126 N SER A 9 -1.192 -2.110 -23.997 1.00 0.00 N ATOM 127 CA SER A 9 -2.571 -1.682 -23.792 1.00 0.00 C ATOM 128 C SER A 9 -3.460 -2.870 -23.435 1.00 0.00 C ATOM 129 O SER A 9 -4.463 -2.720 -22.738 1.00 0.00 O ATOM 130 CB SER A 9 -3.105 -0.990 -25.047 1.00 0.00 C ATOM 131 OG SER A 9 -3.775 -1.909 -25.892 1.00 0.00 O ATOM 0 H SER A 9 -0.841 -1.960 -24.943 1.00 0.00 H new ATOM 0 HA SER A 9 -2.587 -0.975 -22.962 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.788 -0.190 -24.762 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.280 -0.527 -25.589 1.00 0.00 H new ATOM 0 HG SER A 9 -4.108 -1.441 -26.686 1.00 0.00 H new ATOM 137 N GLU A 10 -3.084 -4.049 -23.920 1.00 0.00 N ATOM 138 CA GLU A 10 -3.848 -5.262 -23.653 1.00 0.00 C ATOM 139 C GLU A 10 -3.678 -5.705 -22.203 1.00 0.00 C ATOM 140 O GLU A 10 -4.615 -6.204 -21.580 1.00 0.00 O ATOM 141 CB GLU A 10 -3.409 -6.385 -24.595 1.00 0.00 C ATOM 142 CG GLU A 10 -3.401 -5.983 -26.060 1.00 0.00 C ATOM 143 CD GLU A 10 -4.228 -6.914 -26.925 1.00 0.00 C ATOM 144 OE1 GLU A 10 -5.469 -6.775 -26.931 1.00 0.00 O ATOM 145 OE2 GLU A 10 -3.634 -7.783 -27.597 1.00 0.00 O ATOM 0 H GLU A 10 -2.256 -4.190 -24.499 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.901 -5.042 -23.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.409 -6.715 -24.312 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.075 -7.238 -24.465 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.785 -4.967 -26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.374 -5.972 -26.424 1.00 0.00 H new ATOM 152 N PHE A 11 -2.474 -5.518 -21.671 1.00 0.00 N ATOM 153 CA PHE A 11 -2.179 -5.899 -20.295 1.00 0.00 C ATOM 154 C PHE A 11 -2.897 -4.980 -19.310 1.00 0.00 C ATOM 155 O PHE A 11 -3.639 -5.441 -18.442 1.00 0.00 O ATOM 156 CB PHE A 11 -0.670 -5.855 -20.043 1.00 0.00 C ATOM 157 CG PHE A 11 -0.168 -6.998 -19.208 1.00 0.00 C ATOM 158 CD1 PHE A 11 -0.398 -8.309 -19.593 1.00 0.00 C ATOM 159 CD2 PHE A 11 0.533 -6.761 -18.036 1.00 0.00 C ATOM 160 CE1 PHE A 11 0.063 -9.363 -18.827 1.00 0.00 C ATOM 161 CE2 PHE A 11 0.996 -7.811 -17.266 1.00 0.00 C ATOM 162 CZ PHE A 11 0.760 -9.113 -17.661 1.00 0.00 C ATOM 0 H PHE A 11 -1.687 -5.105 -22.172 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.537 -6.917 -20.142 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.150 -5.859 -21.001 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.420 -4.917 -19.548 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.944 -8.510 -20.503 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.719 -5.745 -17.721 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.121 -10.380 -19.140 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.542 -7.613 -16.356 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.120 -9.934 -17.059 1.00 0.00 H new ATOM 172 N VAL A 12 -2.670 -3.678 -19.452 1.00 0.00 N ATOM 173 CA VAL A 12 -3.295 -2.694 -18.576 1.00 0.00 C ATOM 174 C VAL A 12 -4.804 -2.899 -18.507 1.00 0.00 C ATOM 175 O VAL A 12 -5.428 -2.663 -17.472 1.00 0.00 O ATOM 176 CB VAL A 12 -3.005 -1.257 -19.050 1.00 0.00 C ATOM 177 CG1 VAL A 12 -3.381 -1.091 -20.515 1.00 0.00 C ATOM 178 CG2 VAL A 12 -3.747 -0.251 -18.183 1.00 0.00 C ATOM 0 H VAL A 12 -2.058 -3.280 -20.165 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.866 -2.836 -17.584 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.936 -1.069 -18.951 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.169 -0.070 -20.832 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.800 -1.787 -21.121 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.443 -1.298 -20.644 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.531 0.759 -18.532 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.819 -0.436 -18.248 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.423 -0.354 -17.147 1.00 0.00 H new ATOM 188 N THR A 13 -5.387 -3.342 -19.617 1.00 0.00 N ATOM 189 CA THR A 13 -6.824 -3.579 -19.683 1.00 0.00 C ATOM 190 C THR A 13 -7.258 -4.615 -18.653 1.00 0.00 C ATOM 191 O THR A 13 -8.365 -4.548 -18.119 1.00 0.00 O ATOM 192 CB THR A 13 -7.250 -4.055 -21.085 1.00 0.00 C ATOM 193 OG1 THR A 13 -6.944 -3.050 -22.058 1.00 0.00 O ATOM 194 CG2 THR A 13 -8.739 -4.366 -21.121 1.00 0.00 C ATOM 0 H THR A 13 -4.886 -3.544 -20.482 1.00 0.00 H new ATOM 0 HA THR A 13 -7.312 -2.629 -19.466 1.00 0.00 H new ATOM 0 HB THR A 13 -6.698 -4.966 -21.319 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.972 -2.955 -22.136 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.017 -4.700 -22.121 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.964 -5.152 -20.400 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.304 -3.469 -20.868 1.00 0.00 H new ATOM 202 N GLY A 14 -6.379 -5.574 -18.377 1.00 0.00 N ATOM 203 CA GLY A 14 -6.690 -6.610 -17.410 1.00 0.00 C ATOM 204 C GLY A 14 -6.828 -6.067 -16.002 1.00 0.00 C ATOM 205 O GLY A 14 -7.797 -6.369 -15.304 1.00 0.00 O ATOM 0 H GLY A 14 -5.457 -5.652 -18.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.618 -7.104 -17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.906 -7.367 -17.429 1.00 0.00 H new ATOM 209 N PHE A 15 -5.856 -5.264 -15.581 1.00 0.00 N ATOM 210 CA PHE A 15 -5.872 -4.680 -14.245 1.00 0.00 C ATOM 211 C PHE A 15 -6.864 -3.523 -14.169 1.00 0.00 C ATOM 212 O PHE A 15 -7.590 -3.377 -13.186 1.00 0.00 O ATOM 213 CB PHE A 15 -4.473 -4.192 -13.862 1.00 0.00 C ATOM 214 CG PHE A 15 -3.489 -5.306 -13.647 1.00 0.00 C ATOM 215 CD1 PHE A 15 -3.464 -6.005 -12.451 1.00 0.00 C ATOM 216 CD2 PHE A 15 -2.587 -5.653 -14.640 1.00 0.00 C ATOM 217 CE1 PHE A 15 -2.560 -7.030 -12.249 1.00 0.00 C ATOM 218 CE2 PHE A 15 -1.680 -6.677 -14.444 1.00 0.00 C ATOM 219 CZ PHE A 15 -1.666 -7.366 -13.247 1.00 0.00 C ATOM 0 H PHE A 15 -5.048 -5.003 -16.146 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.186 -5.452 -13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.099 -3.534 -14.646 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.541 -3.597 -12.951 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.160 -5.745 -11.667 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.593 -5.117 -15.578 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.552 -7.568 -11.312 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.983 -6.938 -15.226 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.957 -8.166 -13.092 1.00 0.00 H new ATOM 229 N ARG A 16 -6.889 -2.703 -15.215 1.00 0.00 N ATOM 230 CA ARG A 16 -7.790 -1.558 -15.267 1.00 0.00 C ATOM 231 C ARG A 16 -9.215 -1.971 -14.911 1.00 0.00 C ATOM 232 O ARG A 16 -9.989 -1.175 -14.377 1.00 0.00 O ATOM 233 CB ARG A 16 -7.764 -0.924 -16.659 1.00 0.00 C ATOM 234 CG ARG A 16 -8.621 0.326 -16.775 1.00 0.00 C ATOM 235 CD ARG A 16 -7.906 1.546 -16.217 1.00 0.00 C ATOM 236 NE ARG A 16 -7.048 2.181 -17.214 1.00 0.00 N ATOM 237 CZ ARG A 16 -7.513 2.849 -18.264 1.00 0.00 C ATOM 238 NH1 ARG A 16 -8.820 2.968 -18.453 1.00 0.00 N ATOM 239 NH2 ARG A 16 -6.669 3.400 -19.128 1.00 0.00 N ATOM 0 H ARG A 16 -6.296 -2.810 -16.038 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.449 -0.826 -14.535 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.735 -0.674 -16.916 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.105 -1.657 -17.389 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.875 0.499 -17.821 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.559 0.176 -16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.642 2.266 -15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.305 1.252 -15.356 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.037 2.108 -17.098 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.471 2.546 -17.791 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.174 3.482 -19.260 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.663 3.311 -18.986 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.027 3.913 -19.934 1.00 0.00 H new ATOM 253 N LEU A 17 -9.555 -3.220 -15.210 1.00 0.00 N ATOM 254 CA LEU A 17 -10.888 -3.740 -14.922 1.00 0.00 C ATOM 255 C LEU A 17 -11.191 -3.664 -13.429 1.00 0.00 C ATOM 256 O LEU A 17 -12.265 -3.220 -13.025 1.00 0.00 O ATOM 257 CB LEU A 17 -11.008 -5.186 -15.405 1.00 0.00 C ATOM 258 CG LEU A 17 -12.127 -5.467 -16.409 1.00 0.00 C ATOM 259 CD1 LEU A 17 -13.488 -5.271 -15.761 1.00 0.00 C ATOM 260 CD2 LEU A 17 -11.983 -4.573 -17.632 1.00 0.00 C ATOM 0 H LEU A 17 -8.927 -3.891 -15.652 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.614 -3.124 -15.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.060 -5.477 -15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.157 -5.827 -14.536 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.047 -6.505 -16.731 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.271 -5.475 -16.491 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.591 -5.953 -14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.579 -4.243 -15.409 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.788 -4.787 -18.336 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.036 -3.528 -17.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.022 -4.763 -18.111 1.00 0.00 H new ATOM 272 N ALA A 18 -10.236 -4.099 -12.613 1.00 0.00 N ATOM 273 CA ALA A 18 -10.399 -4.076 -11.165 1.00 0.00 C ATOM 274 C ALA A 18 -10.018 -2.716 -10.591 1.00 0.00 C ATOM 275 O ALA A 18 -10.402 -2.373 -9.474 1.00 0.00 O ATOM 276 CB ALA A 18 -9.565 -5.175 -10.523 1.00 0.00 C ATOM 0 H ALA A 18 -9.341 -4.472 -12.931 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.450 -4.254 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.696 -5.146 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.887 -6.145 -10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.513 -5.022 -10.765 1.00 0.00 H new ATOM 282 N GLY A 19 -9.259 -1.944 -11.363 1.00 0.00 N ATOM 283 CA GLY A 19 -8.838 -0.630 -10.913 1.00 0.00 C ATOM 284 C GLY A 19 -7.899 -0.697 -9.725 1.00 0.00 C ATOM 285 O GLY A 19 -7.612 0.321 -9.094 1.00 0.00 O ATOM 0 H GLY A 19 -8.928 -2.205 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.344 -0.109 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.716 -0.042 -10.645 1.00 0.00 H new ATOM 289 N ILE A 20 -7.420 -1.898 -9.419 1.00 0.00 N ATOM 290 CA ILE A 20 -6.509 -2.093 -8.298 1.00 0.00 C ATOM 291 C ILE A 20 -5.100 -2.418 -8.785 1.00 0.00 C ATOM 292 O ILE A 20 -4.462 -3.349 -8.294 1.00 0.00 O ATOM 293 CB ILE A 20 -6.992 -3.223 -7.370 1.00 0.00 C ATOM 294 CG1 ILE A 20 -8.504 -3.126 -7.156 1.00 0.00 C ATOM 295 CG2 ILE A 20 -6.259 -3.164 -6.038 1.00 0.00 C ATOM 296 CD1 ILE A 20 -9.021 -4.042 -6.070 1.00 0.00 C ATOM 0 H ILE A 20 -7.647 -2.750 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.492 -1.157 -7.739 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.771 -4.180 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.762 -2.097 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.011 -3.363 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.611 -3.969 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.188 -3.277 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.452 -2.204 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.100 -3.920 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.795 -5.076 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.542 -3.791 -5.124 1.00 0.00 H new ATOM 308 N SER A 21 -4.621 -1.642 -9.751 1.00 0.00 N ATOM 309 CA SER A 21 -3.288 -1.847 -10.306 1.00 0.00 C ATOM 310 C SER A 21 -3.019 -0.872 -11.449 1.00 0.00 C ATOM 311 O SER A 21 -3.624 -0.966 -12.517 1.00 0.00 O ATOM 312 CB SER A 21 -3.136 -3.287 -10.803 1.00 0.00 C ATOM 313 OG SER A 21 -2.183 -3.995 -10.029 1.00 0.00 O ATOM 0 H SER A 21 -5.136 -0.865 -10.166 1.00 0.00 H new ATOM 0 HA SER A 21 -2.560 -1.663 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.099 -3.795 -10.754 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.830 -3.284 -11.849 1.00 0.00 H new ATOM 0 HG SER A 21 -2.094 -4.908 -10.375 1.00 0.00 H new ATOM 319 N LYS A 22 -2.106 0.064 -11.216 1.00 0.00 N ATOM 320 CA LYS A 22 -1.753 1.057 -12.223 1.00 0.00 C ATOM 321 C LYS A 22 -0.790 0.471 -13.251 1.00 0.00 C ATOM 322 O LYS A 22 0.373 0.204 -12.945 1.00 0.00 O ATOM 323 CB LYS A 22 -1.124 2.285 -11.561 1.00 0.00 C ATOM 324 CG LYS A 22 -1.984 2.894 -10.468 1.00 0.00 C ATOM 325 CD LYS A 22 -3.326 3.359 -11.008 1.00 0.00 C ATOM 326 CE LYS A 22 -3.974 4.382 -10.088 1.00 0.00 C ATOM 327 NZ LYS A 22 -4.756 5.395 -10.848 1.00 0.00 N ATOM 0 H LYS A 22 -1.596 0.156 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.666 1.357 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.159 2.005 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.932 3.040 -12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.143 2.160 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.460 3.737 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.190 3.794 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.989 2.502 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.630 3.872 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.203 4.883 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.182 6.074 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.126 5.900 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.508 4.920 -11.387 1.00 0.00 H new ATOM 341 N VAL A 23 -1.280 0.274 -14.471 1.00 0.00 N ATOM 342 CA VAL A 23 -0.462 -0.277 -15.544 1.00 0.00 C ATOM 343 C VAL A 23 -0.299 0.725 -16.681 1.00 0.00 C ATOM 344 O VAL A 23 -1.215 1.490 -16.985 1.00 0.00 O ATOM 345 CB VAL A 23 -1.071 -1.577 -16.103 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.126 -2.221 -17.106 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.398 -2.540 -14.972 1.00 0.00 C ATOM 0 H VAL A 23 -2.240 0.488 -14.741 1.00 0.00 H new ATOM 0 HA VAL A 23 0.516 -0.497 -15.115 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.998 -1.331 -16.620 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.573 -3.138 -17.490 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.054 -1.532 -17.931 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.819 -2.456 -16.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.827 -3.453 -15.384 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.487 -2.782 -14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.115 -2.076 -14.295 1.00 0.00 H new ATOM 357 N TYR A 24 0.873 0.715 -17.307 1.00 0.00 N ATOM 358 CA TYR A 24 1.157 1.625 -18.411 1.00 0.00 C ATOM 359 C TYR A 24 1.238 0.868 -19.733 1.00 0.00 C ATOM 360 O TYR A 24 1.139 -0.358 -19.766 1.00 0.00 O ATOM 361 CB TYR A 24 2.466 2.374 -18.157 1.00 0.00 C ATOM 362 CG TYR A 24 2.420 3.283 -16.950 1.00 0.00 C ATOM 363 CD1 TYR A 24 1.419 4.235 -16.811 1.00 0.00 C ATOM 364 CD2 TYR A 24 3.378 3.188 -15.948 1.00 0.00 C ATOM 365 CE1 TYR A 24 1.373 5.069 -15.710 1.00 0.00 C ATOM 366 CE2 TYR A 24 3.339 4.016 -14.843 1.00 0.00 C ATOM 367 CZ TYR A 24 2.335 4.955 -14.729 1.00 0.00 C ATOM 368 OH TYR A 24 2.293 5.782 -13.630 1.00 0.00 O ATOM 0 H TYR A 24 1.641 0.087 -17.069 1.00 0.00 H new ATOM 0 HA TYR A 24 0.341 2.345 -18.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.270 1.649 -18.025 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.713 2.966 -19.038 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.663 4.325 -17.577 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.166 2.455 -16.035 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.588 5.805 -15.619 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.091 3.929 -14.072 1.00 0.00 H new ATOM 0 HH TYR A 24 3.066 6.384 -13.644 1.00 0.00 H new ATOM 378 N GLU A 25 1.420 1.610 -20.822 1.00 0.00 N ATOM 379 CA GLU A 25 1.515 1.009 -22.147 1.00 0.00 C ATOM 380 C GLU A 25 2.703 1.577 -22.918 1.00 0.00 C ATOM 381 O GLU A 25 2.679 2.725 -23.363 1.00 0.00 O ATOM 382 CB GLU A 25 0.223 1.247 -22.932 1.00 0.00 C ATOM 383 CG GLU A 25 -1.037 0.996 -22.122 1.00 0.00 C ATOM 384 CD GLU A 25 -2.289 1.487 -22.822 1.00 0.00 C ATOM 385 OE1 GLU A 25 -2.268 1.601 -24.065 1.00 0.00 O ATOM 386 OE2 GLU A 25 -3.290 1.757 -22.126 1.00 0.00 O ATOM 0 H GLU A 25 1.504 2.626 -20.812 1.00 0.00 H new ATOM 0 HA GLU A 25 1.664 -0.063 -22.022 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.213 2.275 -23.295 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.216 0.599 -23.809 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.131 -0.072 -21.925 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.948 1.492 -21.155 1.00 0.00 H new ATOM 393 N THR A 26 3.745 0.765 -23.071 1.00 0.00 N ATOM 394 CA THR A 26 4.943 1.185 -23.786 1.00 0.00 C ATOM 395 C THR A 26 5.175 0.326 -25.023 1.00 0.00 C ATOM 396 O THR A 26 5.970 -0.615 -25.016 1.00 0.00 O ATOM 397 CB THR A 26 6.190 1.112 -22.883 1.00 0.00 C ATOM 398 OG1 THR A 26 6.412 -0.239 -22.463 1.00 0.00 O ATOM 399 CG2 THR A 26 6.028 2.007 -21.664 1.00 0.00 C ATOM 0 H THR A 26 3.783 -0.188 -22.709 1.00 0.00 H new ATOM 0 HA THR A 26 4.783 2.219 -24.091 1.00 0.00 H new ATOM 0 HB THR A 26 7.049 1.459 -23.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.381 -0.833 -23.242 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.920 1.939 -21.042 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.888 3.039 -21.986 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.159 1.685 -21.089 1.00 0.00 H new ATOM 407 N PRO A 27 4.466 0.654 -26.114 1.00 0.00 N ATOM 408 CA PRO A 27 4.579 -0.075 -27.380 1.00 0.00 C ATOM 409 C PRO A 27 5.922 0.155 -28.064 1.00 0.00 C ATOM 410 O PRO A 27 6.553 -0.786 -28.548 1.00 0.00 O ATOM 411 CB PRO A 27 3.442 0.504 -28.226 1.00 0.00 C ATOM 412 CG PRO A 27 3.210 1.865 -27.666 1.00 0.00 C ATOM 413 CD PRO A 27 3.501 1.763 -26.194 1.00 0.00 C ATOM 0 HA PRO A 27 4.515 -1.154 -27.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.717 0.551 -29.280 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.545 -0.111 -28.157 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.860 2.599 -28.142 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.184 2.188 -27.839 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.920 2.690 -25.802 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.599 1.553 -25.619 1.00 0.00 H new ATOM 421 N ASP A 28 6.355 1.410 -28.101 1.00 0.00 N ATOM 422 CA ASP A 28 7.625 1.764 -28.724 1.00 0.00 C ATOM 423 C ASP A 28 8.734 1.861 -27.681 1.00 0.00 C ATOM 424 O ASP A 28 8.471 2.094 -26.501 1.00 0.00 O ATOM 425 CB ASP A 28 7.497 3.089 -29.476 1.00 0.00 C ATOM 426 CG ASP A 28 6.163 3.228 -30.182 1.00 0.00 C ATOM 427 OD1 ASP A 28 6.043 2.737 -31.324 1.00 0.00 O ATOM 428 OD2 ASP A 28 5.238 3.827 -29.594 1.00 0.00 O ATOM 0 H ASP A 28 5.845 2.200 -27.706 1.00 0.00 H new ATOM 0 HA ASP A 28 7.885 0.977 -29.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.621 3.915 -28.775 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.302 3.168 -30.207 1.00 0.00 H new ATOM 433 N ILE A 29 9.973 1.680 -28.124 1.00 0.00 N ATOM 434 CA ILE A 29 11.122 1.748 -27.229 1.00 0.00 C ATOM 435 C ILE A 29 11.352 3.173 -26.738 1.00 0.00 C ATOM 436 O ILE A 29 11.629 3.413 -25.562 1.00 0.00 O ATOM 437 CB ILE A 29 12.403 1.241 -27.917 1.00 0.00 C ATOM 438 CG1 ILE A 29 13.498 2.308 -27.856 1.00 0.00 C ATOM 439 CG2 ILE A 29 12.112 0.855 -29.360 1.00 0.00 C ATOM 440 CD1 ILE A 29 14.833 1.834 -28.385 1.00 0.00 C ATOM 0 H ILE A 29 10.207 1.485 -29.097 1.00 0.00 H new ATOM 0 HA ILE A 29 10.898 1.104 -26.378 1.00 0.00 H new ATOM 0 HB ILE A 29 12.755 0.355 -27.388 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.178 3.179 -28.428 1.00 0.00 H new ATOM 0 HG13 ILE A 29 13.620 2.633 -26.823 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.027 0.499 -29.833 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.361 0.065 -29.381 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.739 1.725 -29.901 1.00 0.00 H new ATOM 0 HD11 ILE A 29 15.561 2.642 -28.311 1.00 0.00 H new ATOM 0 HD12 ILE A 29 15.175 0.982 -27.798 1.00 0.00 H new ATOM 0 HD13 ILE A 29 14.726 1.536 -29.428 1.00 0.00 H new ATOM 452 N PRO A 30 11.234 4.142 -27.657 1.00 0.00 N ATOM 453 CA PRO A 30 11.423 5.561 -27.340 1.00 0.00 C ATOM 454 C PRO A 30 10.301 6.115 -26.469 1.00 0.00 C ATOM 455 O PRO A 30 10.540 6.920 -25.569 1.00 0.00 O ATOM 456 CB PRO A 30 11.416 6.235 -28.714 1.00 0.00 C ATOM 457 CG PRO A 30 10.628 5.317 -29.583 1.00 0.00 C ATOM 458 CD PRO A 30 10.906 3.928 -29.076 1.00 0.00 C ATOM 0 HA PRO A 30 12.336 5.733 -26.770 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.960 7.224 -28.667 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.429 6.368 -29.095 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.564 5.546 -29.530 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.924 5.418 -30.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.040 3.276 -29.194 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.732 3.462 -29.613 1.00 0.00 H new ATOM 466 N ALA A 31 9.075 5.679 -26.742 1.00 0.00 N ATOM 467 CA ALA A 31 7.917 6.130 -25.981 1.00 0.00 C ATOM 468 C ALA A 31 7.955 5.595 -24.554 1.00 0.00 C ATOM 469 O ALA A 31 7.312 6.141 -23.657 1.00 0.00 O ATOM 470 CB ALA A 31 6.631 5.700 -26.673 1.00 0.00 C ATOM 0 H ALA A 31 8.859 5.014 -27.485 1.00 0.00 H new ATOM 0 HA ALA A 31 7.946 7.219 -25.934 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.774 6.043 -26.094 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.592 6.135 -27.672 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.605 4.613 -26.750 1.00 0.00 H new ATOM 476 N THR A 32 8.713 4.522 -24.349 1.00 0.00 N ATOM 477 CA THR A 32 8.834 3.912 -23.031 1.00 0.00 C ATOM 478 C THR A 32 9.359 4.913 -22.008 1.00 0.00 C ATOM 479 O THR A 32 8.986 4.870 -20.836 1.00 0.00 O ATOM 480 CB THR A 32 9.769 2.688 -23.062 1.00 0.00 C ATOM 481 OG1 THR A 32 9.268 1.712 -23.982 1.00 0.00 O ATOM 482 CG2 THR A 32 9.896 2.069 -21.678 1.00 0.00 C ATOM 0 H THR A 32 9.252 4.058 -25.080 1.00 0.00 H new ATOM 0 HA THR A 32 7.835 3.589 -22.739 1.00 0.00 H new ATOM 0 HB THR A 32 10.755 3.020 -23.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.250 2.093 -24.885 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.561 1.207 -21.725 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.305 2.805 -20.986 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.913 1.751 -21.330 1.00 0.00 H new ATOM 490 N GLU A 33 10.227 5.813 -22.459 1.00 0.00 N ATOM 491 CA GLU A 33 10.803 6.825 -21.581 1.00 0.00 C ATOM 492 C GLU A 33 9.709 7.655 -20.916 1.00 0.00 C ATOM 493 O GLU A 33 9.863 8.111 -19.783 1.00 0.00 O ATOM 494 CB GLU A 33 11.745 7.738 -22.368 1.00 0.00 C ATOM 495 CG GLU A 33 11.025 8.685 -23.314 1.00 0.00 C ATOM 496 CD GLU A 33 11.892 9.114 -24.482 1.00 0.00 C ATOM 497 OE1 GLU A 33 13.133 9.065 -24.348 1.00 0.00 O ATOM 498 OE2 GLU A 33 11.330 9.500 -25.528 1.00 0.00 O ATOM 0 H GLU A 33 10.547 5.862 -23.426 1.00 0.00 H new ATOM 0 HA GLU A 33 11.370 6.314 -20.803 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.341 8.322 -21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.439 7.123 -22.941 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.126 8.200 -23.693 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.702 9.568 -22.762 1.00 0.00 H new ATOM 505 N SER A 34 8.605 7.848 -21.630 1.00 0.00 N ATOM 506 CA SER A 34 7.486 8.627 -21.112 1.00 0.00 C ATOM 507 C SER A 34 7.064 8.123 -19.735 1.00 0.00 C ATOM 508 O SER A 34 6.953 8.897 -18.786 1.00 0.00 O ATOM 509 CB SER A 34 6.301 8.561 -22.077 1.00 0.00 C ATOM 510 OG SER A 34 5.663 9.821 -22.188 1.00 0.00 O ATOM 0 H SER A 34 8.461 7.476 -22.569 1.00 0.00 H new ATOM 0 HA SER A 34 7.810 9.663 -21.017 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.645 8.236 -23.059 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.585 7.817 -21.728 1.00 0.00 H new ATOM 0 HG SER A 34 4.910 9.753 -22.812 1.00 0.00 H new ATOM 516 N ALA A 35 6.831 6.818 -19.636 1.00 0.00 N ATOM 517 CA ALA A 35 6.423 6.209 -18.377 1.00 0.00 C ATOM 518 C ALA A 35 7.547 6.270 -17.348 1.00 0.00 C ATOM 519 O ALA A 35 7.305 6.492 -16.162 1.00 0.00 O ATOM 520 CB ALA A 35 5.990 4.768 -18.603 1.00 0.00 C ATOM 0 H ALA A 35 6.918 6.163 -20.413 1.00 0.00 H new ATOM 0 HA ALA A 35 5.577 6.774 -17.986 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.688 4.326 -17.654 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.150 4.745 -19.298 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.821 4.199 -19.020 1.00 0.00 H new ATOM 526 N VAL A 36 8.777 6.069 -17.810 1.00 0.00 N ATOM 527 CA VAL A 36 9.939 6.102 -16.930 1.00 0.00 C ATOM 528 C VAL A 36 10.018 7.423 -16.173 1.00 0.00 C ATOM 529 O VAL A 36 10.614 7.500 -15.099 1.00 0.00 O ATOM 530 CB VAL A 36 11.246 5.895 -17.718 1.00 0.00 C ATOM 531 CG1 VAL A 36 12.452 6.056 -16.804 1.00 0.00 C ATOM 532 CG2 VAL A 36 11.253 4.529 -18.388 1.00 0.00 C ATOM 0 H VAL A 36 8.994 5.882 -18.789 1.00 0.00 H new ATOM 0 HA VAL A 36 9.820 5.285 -16.218 1.00 0.00 H new ATOM 0 HB VAL A 36 11.306 6.656 -18.496 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.366 5.906 -17.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.453 7.058 -16.376 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.402 5.319 -16.003 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.184 4.399 -18.940 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.170 3.751 -17.629 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.410 4.457 -19.075 1.00 0.00 H new ATOM 542 N ARG A 37 9.413 8.461 -16.741 1.00 0.00 N ATOM 543 CA ARG A 37 9.416 9.781 -16.121 1.00 0.00 C ATOM 544 C ARG A 37 8.794 9.728 -14.729 1.00 0.00 C ATOM 545 O ARG A 37 9.350 10.261 -13.769 1.00 0.00 O ATOM 546 CB ARG A 37 8.655 10.780 -16.994 1.00 0.00 C ATOM 547 CG ARG A 37 9.331 11.065 -18.325 1.00 0.00 C ATOM 548 CD ARG A 37 10.458 12.075 -18.171 1.00 0.00 C ATOM 549 NE ARG A 37 9.988 13.337 -17.605 1.00 0.00 N ATOM 550 CZ ARG A 37 9.261 14.220 -18.280 1.00 0.00 C ATOM 551 NH1 ARG A 37 8.921 13.980 -19.539 1.00 0.00 N ATOM 552 NH2 ARG A 37 8.871 15.346 -17.695 1.00 0.00 N ATOM 0 H ARG A 37 8.914 8.414 -17.630 1.00 0.00 H new ATOM 0 HA ARG A 37 10.451 10.108 -16.026 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.652 10.396 -17.180 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.542 11.715 -16.446 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.726 10.138 -18.740 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.595 11.444 -19.034 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.234 11.657 -17.530 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.913 12.261 -19.144 1.00 0.00 H new ATOM 0 HE ARG A 37 10.232 13.552 -16.638 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.218 13.115 -19.991 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.363 14.660 -20.055 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.130 15.534 -16.726 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.313 16.024 -18.214 1.00 0.00 H new ATOM 566 N SER A 38 7.637 9.081 -14.627 1.00 0.00 N ATOM 567 CA SER A 38 6.937 8.963 -13.354 1.00 0.00 C ATOM 568 C SER A 38 7.413 7.735 -12.584 1.00 0.00 C ATOM 569 O SER A 38 7.429 7.726 -11.353 1.00 0.00 O ATOM 570 CB SER A 38 5.426 8.880 -13.584 1.00 0.00 C ATOM 571 OG SER A 38 5.058 7.613 -14.100 1.00 0.00 O ATOM 0 H SER A 38 7.165 8.631 -15.411 1.00 0.00 H new ATOM 0 HA SER A 38 7.159 9.851 -12.762 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.902 9.060 -12.646 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.117 9.662 -14.277 1.00 0.00 H new ATOM 0 HG SER A 38 5.750 7.298 -14.719 1.00 0.00 H new ATOM 577 N VAL A 39 7.801 6.697 -13.319 1.00 0.00 N ATOM 578 CA VAL A 39 8.280 5.463 -12.708 1.00 0.00 C ATOM 579 C VAL A 39 9.586 5.693 -11.956 1.00 0.00 C ATOM 580 O VAL A 39 9.774 5.191 -10.847 1.00 0.00 O ATOM 581 CB VAL A 39 8.493 4.361 -13.762 1.00 0.00 C ATOM 582 CG1 VAL A 39 8.990 3.082 -13.104 1.00 0.00 C ATOM 583 CG2 VAL A 39 7.208 4.107 -14.535 1.00 0.00 C ATOM 0 H VAL A 39 7.793 6.687 -14.339 1.00 0.00 H new ATOM 0 HA VAL A 39 7.513 5.139 -12.005 1.00 0.00 H new ATOM 0 HB VAL A 39 9.253 4.699 -14.467 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.135 2.314 -13.864 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.936 3.276 -12.600 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.255 2.738 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.377 3.325 -15.275 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.425 3.790 -13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.899 5.023 -15.039 1.00 0.00 H new ATOM 593 N LEU A 40 10.488 6.453 -12.567 1.00 0.00 N ATOM 594 CA LEU A 40 11.779 6.751 -11.956 1.00 0.00 C ATOM 595 C LEU A 40 11.604 7.219 -10.515 1.00 0.00 C ATOM 596 O LEU A 40 12.475 7.005 -9.673 1.00 0.00 O ATOM 597 CB LEU A 40 12.515 7.819 -12.766 1.00 0.00 C ATOM 598 CG LEU A 40 11.959 9.240 -12.665 1.00 0.00 C ATOM 599 CD1 LEU A 40 12.571 9.969 -11.479 1.00 0.00 C ATOM 600 CD2 LEU A 40 12.214 10.006 -13.954 1.00 0.00 C ATOM 0 H LEU A 40 10.349 6.874 -13.485 1.00 0.00 H new ATOM 0 HA LEU A 40 12.371 5.836 -11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.557 7.835 -12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.507 7.521 -13.814 1.00 0.00 H new ATOM 0 HG LEU A 40 10.882 9.178 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.164 10.978 -11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.336 9.431 -10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.653 10.021 -11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.811 11.015 -13.863 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.287 10.059 -14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.727 9.494 -14.784 1.00 0.00 H new ATOM 612 N GLU A 41 10.471 7.858 -10.239 1.00 0.00 N ATOM 613 CA GLU A 41 10.182 8.356 -8.900 1.00 0.00 C ATOM 614 C GLU A 41 9.162 7.465 -8.197 1.00 0.00 C ATOM 615 O GLU A 41 9.089 7.436 -6.968 1.00 0.00 O ATOM 616 CB GLU A 41 9.661 9.793 -8.966 1.00 0.00 C ATOM 617 CG GLU A 41 8.316 9.920 -9.662 1.00 0.00 C ATOM 618 CD GLU A 41 7.710 11.303 -9.511 1.00 0.00 C ATOM 619 OE1 GLU A 41 8.244 12.254 -10.119 1.00 0.00 O ATOM 620 OE2 GLU A 41 6.702 11.432 -8.786 1.00 0.00 O ATOM 0 H GLU A 41 9.739 8.043 -10.925 1.00 0.00 H new ATOM 0 HA GLU A 41 11.109 8.340 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.575 10.187 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.391 10.412 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.436 9.694 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.628 9.179 -9.254 1.00 0.00 H new ATOM 627 N ASP A 42 8.376 6.740 -8.985 1.00 0.00 N ATOM 628 CA ASP A 42 7.359 5.848 -8.440 1.00 0.00 C ATOM 629 C ASP A 42 7.981 4.532 -7.983 1.00 0.00 C ATOM 630 O ASP A 42 7.322 3.711 -7.344 1.00 0.00 O ATOM 631 CB ASP A 42 6.274 5.579 -9.483 1.00 0.00 C ATOM 632 CG ASP A 42 4.994 5.051 -8.864 1.00 0.00 C ATOM 633 OD1 ASP A 42 4.928 3.836 -8.583 1.00 0.00 O ATOM 634 OD2 ASP A 42 4.060 5.854 -8.660 1.00 0.00 O ATOM 0 H ASP A 42 8.424 6.752 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 42 6.907 6.336 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.059 6.500 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.646 4.859 -10.212 1.00 0.00 H new ATOM 639 N LYS A 43 9.252 4.337 -8.315 1.00 0.00 N ATOM 640 CA LYS A 43 9.964 3.121 -7.939 1.00 0.00 C ATOM 641 C LYS A 43 10.094 3.013 -6.423 1.00 0.00 C ATOM 642 O LYS A 43 10.223 1.917 -5.878 1.00 0.00 O ATOM 643 CB LYS A 43 11.352 3.098 -8.584 1.00 0.00 C ATOM 644 CG LYS A 43 12.307 4.130 -8.008 1.00 0.00 C ATOM 645 CD LYS A 43 13.210 3.523 -6.948 1.00 0.00 C ATOM 646 CE LYS A 43 13.760 4.586 -6.009 1.00 0.00 C ATOM 647 NZ LYS A 43 13.857 4.092 -4.607 1.00 0.00 N ATOM 0 H LYS A 43 9.811 5.006 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 43 9.389 2.267 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.785 2.105 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.249 3.269 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.916 4.551 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.738 4.952 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.653 2.782 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.036 2.998 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.746 4.899 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.117 5.466 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.366 4.753 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.415 3.153 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.857 4.025 -4.331 1.00 0.00 H new ATOM 661 N SER A 44 10.059 4.158 -5.748 1.00 0.00 N ATOM 662 CA SER A 44 10.175 4.192 -4.294 1.00 0.00 C ATOM 663 C SER A 44 8.798 4.259 -3.641 1.00 0.00 C ATOM 664 O SER A 44 8.657 4.730 -2.512 1.00 0.00 O ATOM 665 CB SER A 44 11.019 5.390 -3.857 1.00 0.00 C ATOM 666 OG SER A 44 11.824 5.066 -2.737 1.00 0.00 O ATOM 0 H SER A 44 9.951 5.074 -6.184 1.00 0.00 H new ATOM 0 HA SER A 44 10.666 3.274 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.653 5.713 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.367 6.227 -3.610 1.00 0.00 H new ATOM 0 HG SER A 44 12.355 5.848 -2.478 1.00 0.00 H new ATOM 672 N VAL A 45 7.785 3.785 -4.359 1.00 0.00 N ATOM 673 CA VAL A 45 6.419 3.790 -3.850 1.00 0.00 C ATOM 674 C VAL A 45 6.020 2.412 -3.334 1.00 0.00 C ATOM 675 O VAL A 45 5.954 2.185 -2.126 1.00 0.00 O ATOM 676 CB VAL A 45 5.418 4.230 -4.934 1.00 0.00 C ATOM 677 CG1 VAL A 45 3.991 4.136 -4.414 1.00 0.00 C ATOM 678 CG2 VAL A 45 5.730 5.642 -5.406 1.00 0.00 C ATOM 0 H VAL A 45 7.885 3.393 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 45 6.390 4.505 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 45 5.514 3.557 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.298 4.451 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.774 3.106 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.877 4.783 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.013 5.936 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.664 6.330 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.737 5.673 -5.821 1.00 0.00 H new ATOM 688 N GLY A 46 5.755 1.494 -4.258 1.00 0.00 N ATOM 689 CA GLY A 46 5.365 0.149 -3.877 1.00 0.00 C ATOM 690 C GLY A 46 6.060 -0.913 -4.706 1.00 0.00 C ATOM 691 O GLY A 46 7.289 -0.960 -4.762 1.00 0.00 O ATOM 0 H GLY A 46 5.803 1.658 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.596 -0.008 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.286 0.042 -3.986 1.00 0.00 H new ATOM 695 N ILE A 47 5.273 -1.767 -5.351 1.00 0.00 N ATOM 696 CA ILE A 47 5.820 -2.833 -6.181 1.00 0.00 C ATOM 697 C ILE A 47 5.669 -2.509 -7.663 1.00 0.00 C ATOM 698 O ILE A 47 4.585 -2.152 -8.124 1.00 0.00 O ATOM 699 CB ILE A 47 5.135 -4.181 -5.889 1.00 0.00 C ATOM 700 CG1 ILE A 47 5.279 -4.542 -4.409 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.726 -5.276 -6.766 1.00 0.00 C ATOM 702 CD1 ILE A 47 3.975 -4.944 -3.756 1.00 0.00 C ATOM 0 H ILE A 47 4.254 -1.742 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 47 6.879 -2.912 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 47 4.074 -4.090 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.993 -5.360 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.696 -3.689 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.232 -6.223 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.577 -5.022 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.793 -5.368 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.152 -5.186 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.265 -4.119 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.567 -5.816 -4.266 1.00 0.00 H new ATOM 714 N LEU A 48 6.764 -2.637 -8.405 1.00 0.00 N ATOM 715 CA LEU A 48 6.753 -2.359 -9.837 1.00 0.00 C ATOM 716 C LEU A 48 6.843 -3.651 -10.643 1.00 0.00 C ATOM 717 O LEU A 48 7.384 -4.652 -10.173 1.00 0.00 O ATOM 718 CB LEU A 48 7.914 -1.434 -10.206 1.00 0.00 C ATOM 719 CG LEU A 48 8.073 -0.180 -9.345 1.00 0.00 C ATOM 720 CD1 LEU A 48 9.294 -0.301 -8.446 1.00 0.00 C ATOM 721 CD2 LEU A 48 8.173 1.060 -10.221 1.00 0.00 C ATOM 0 H LEU A 48 7.670 -2.931 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 48 5.812 -1.866 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.840 -2.007 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.790 -1.125 -11.244 1.00 0.00 H new ATOM 0 HG LEU A 48 7.190 -0.082 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.391 0.600 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.181 -1.166 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.187 -0.424 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.286 1.942 -9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.037 0.972 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.268 1.156 -10.821 1.00 0.00 H new ATOM 733 N VAL A 49 6.310 -3.622 -11.861 1.00 0.00 N ATOM 734 CA VAL A 49 6.332 -4.789 -12.734 1.00 0.00 C ATOM 735 C VAL A 49 6.382 -4.378 -14.201 1.00 0.00 C ATOM 736 O VAL A 49 5.446 -3.767 -14.716 1.00 0.00 O ATOM 737 CB VAL A 49 5.101 -5.685 -12.504 1.00 0.00 C ATOM 738 CG1 VAL A 49 5.261 -7.011 -13.233 1.00 0.00 C ATOM 739 CG2 VAL A 49 4.875 -5.909 -11.017 1.00 0.00 C ATOM 0 H VAL A 49 5.858 -2.802 -12.265 1.00 0.00 H new ATOM 0 HA VAL A 49 7.232 -5.352 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 49 4.225 -5.179 -12.909 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.381 -7.631 -13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.370 -6.828 -14.302 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.147 -7.526 -12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.001 -6.544 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.751 -6.393 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.711 -4.950 -10.525 1.00 0.00 H new ATOM 749 N MET A 50 7.480 -4.717 -14.868 1.00 0.00 N ATOM 750 CA MET A 50 7.651 -4.384 -16.278 1.00 0.00 C ATOM 751 C MET A 50 7.817 -5.646 -17.118 1.00 0.00 C ATOM 752 O MET A 50 8.056 -6.731 -16.587 1.00 0.00 O ATOM 753 CB MET A 50 8.863 -3.469 -16.464 1.00 0.00 C ATOM 754 CG MET A 50 8.721 -2.123 -15.772 1.00 0.00 C ATOM 755 SD MET A 50 10.019 -1.828 -14.556 1.00 0.00 S ATOM 756 CE MET A 50 11.073 -0.692 -15.454 1.00 0.00 C ATOM 0 H MET A 50 8.264 -5.222 -14.456 1.00 0.00 H new ATOM 0 HA MET A 50 6.756 -3.861 -16.614 1.00 0.00 H new ATOM 0 HB2 MET A 50 9.750 -3.973 -16.081 1.00 0.00 H new ATOM 0 HB3 MET A 50 9.024 -3.305 -17.530 1.00 0.00 H new ATOM 0 HG2 MET A 50 8.742 -1.330 -16.520 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.749 -2.072 -15.280 1.00 0.00 H new ATOM 0 HE1 MET A 50 11.924 -0.416 -14.831 1.00 0.00 H new ATOM 0 HE2 MET A 50 11.431 -1.171 -16.366 1.00 0.00 H new ATOM 0 HE3 MET A 50 10.507 0.203 -15.712 1.00 0.00 H new ATOM 766 N HIS A 51 7.688 -5.497 -18.433 1.00 0.00 N ATOM 767 CA HIS A 51 7.825 -6.626 -19.347 1.00 0.00 C ATOM 768 C HIS A 51 9.174 -6.588 -20.059 1.00 0.00 C ATOM 769 O HIS A 51 9.673 -5.520 -20.407 1.00 0.00 O ATOM 770 CB HIS A 51 6.692 -6.617 -20.374 1.00 0.00 C ATOM 771 CG HIS A 51 6.618 -5.352 -21.173 1.00 0.00 C ATOM 772 ND1 HIS A 51 5.728 -5.168 -22.210 1.00 0.00 N ATOM 773 CD2 HIS A 51 7.328 -4.203 -21.080 1.00 0.00 C ATOM 774 CE1 HIS A 51 5.895 -3.961 -22.722 1.00 0.00 C ATOM 775 NE2 HIS A 51 6.860 -3.356 -22.054 1.00 0.00 N ATOM 0 H HIS A 51 7.489 -4.607 -18.889 1.00 0.00 H new ATOM 0 HA HIS A 51 7.769 -7.544 -18.763 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.822 -7.459 -21.054 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.744 -6.767 -19.858 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.047 -5.856 -22.532 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.116 -3.992 -20.372 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.337 -3.541 -23.546 1.00 0.00 H new ATOM 783 N ASN A 52 9.758 -7.763 -20.270 1.00 0.00 N ATOM 784 CA ASN A 52 11.050 -7.864 -20.939 1.00 0.00 C ATOM 785 C ASN A 52 10.941 -7.437 -22.400 1.00 0.00 C ATOM 786 O ASN A 52 11.950 -7.269 -23.085 1.00 0.00 O ATOM 787 CB ASN A 52 11.581 -9.297 -20.854 1.00 0.00 C ATOM 788 CG ASN A 52 12.830 -9.400 -19.999 1.00 0.00 C ATOM 789 OD1 ASN A 52 13.921 -9.667 -20.504 1.00 0.00 O ATOM 790 ND2 ASN A 52 12.675 -9.190 -18.697 1.00 0.00 N ATOM 0 H ASN A 52 9.358 -8.658 -19.988 1.00 0.00 H new ATOM 0 HA ASN A 52 11.746 -7.194 -20.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.807 -9.945 -20.442 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.800 -9.661 -21.858 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.479 -9.247 -18.072 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.752 -8.971 -18.322 1.00 0.00 H new ATOM 797 N ASP A 53 9.711 -7.262 -22.869 1.00 0.00 N ATOM 798 CA ASP A 53 9.469 -6.852 -24.248 1.00 0.00 C ATOM 799 C ASP A 53 9.966 -5.430 -24.487 1.00 0.00 C ATOM 800 O ASP A 53 10.026 -4.966 -25.625 1.00 0.00 O ATOM 801 CB ASP A 53 7.979 -6.948 -24.577 1.00 0.00 C ATOM 802 CG ASP A 53 7.688 -7.976 -25.653 1.00 0.00 C ATOM 803 OD1 ASP A 53 8.325 -7.909 -26.725 1.00 0.00 O ATOM 804 OD2 ASP A 53 6.824 -8.847 -25.422 1.00 0.00 O ATOM 0 H ASP A 53 8.865 -7.398 -22.315 1.00 0.00 H new ATOM 0 HA ASP A 53 10.021 -7.525 -24.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.426 -7.206 -23.674 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.619 -5.973 -24.904 1.00 0.00 H new ATOM 809 N ASP A 54 10.320 -4.743 -23.406 1.00 0.00 N ATOM 810 CA ASP A 54 10.811 -3.373 -23.498 1.00 0.00 C ATOM 811 C ASP A 54 12.082 -3.195 -22.673 1.00 0.00 C ATOM 812 O ASP A 54 12.947 -2.389 -23.014 1.00 0.00 O ATOM 813 CB ASP A 54 9.738 -2.391 -23.024 1.00 0.00 C ATOM 814 CG ASP A 54 8.687 -2.126 -24.084 1.00 0.00 C ATOM 815 OD1 ASP A 54 8.070 -3.099 -24.565 1.00 0.00 O ATOM 816 OD2 ASP A 54 8.482 -0.944 -24.432 1.00 0.00 O ATOM 0 H ASP A 54 10.276 -5.112 -22.456 1.00 0.00 H new ATOM 0 HA ASP A 54 11.045 -3.166 -24.542 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.256 -2.787 -22.130 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.210 -1.450 -22.741 1.00 0.00 H new ATOM 821 N ILE A 55 12.186 -3.952 -21.586 1.00 0.00 N ATOM 822 CA ILE A 55 13.350 -3.877 -20.712 1.00 0.00 C ATOM 823 C ILE A 55 14.578 -4.489 -21.379 1.00 0.00 C ATOM 824 O ILE A 55 15.687 -3.974 -21.253 1.00 0.00 O ATOM 825 CB ILE A 55 13.096 -4.594 -19.373 1.00 0.00 C ATOM 826 CG1 ILE A 55 11.757 -4.153 -18.779 1.00 0.00 C ATOM 827 CG2 ILE A 55 14.231 -4.314 -18.399 1.00 0.00 C ATOM 828 CD1 ILE A 55 11.122 -5.192 -17.882 1.00 0.00 C ATOM 0 H ILE A 55 11.478 -4.624 -21.290 1.00 0.00 H new ATOM 0 HA ILE A 55 13.533 -2.820 -20.519 1.00 0.00 H new ATOM 0 HB ILE A 55 13.055 -5.668 -19.555 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.906 -3.236 -18.210 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.069 -3.916 -19.591 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.037 -4.827 -17.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.170 -4.673 -18.821 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.300 -3.241 -18.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.176 -4.811 -17.497 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.941 -6.103 -18.452 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.791 -5.412 -17.050 1.00 0.00 H new ATOM 840 N GLY A 56 14.369 -5.593 -22.091 1.00 0.00 N ATOM 841 CA GLY A 56 15.467 -6.257 -22.769 1.00 0.00 C ATOM 842 C GLY A 56 16.041 -5.423 -23.897 1.00 0.00 C ATOM 843 O GLY A 56 17.125 -5.712 -24.402 1.00 0.00 O ATOM 0 H GLY A 56 13.459 -6.039 -22.210 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.254 -6.479 -22.048 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.121 -7.211 -23.166 1.00 0.00 H new ATOM 847 N ASN A 57 15.311 -4.385 -24.294 1.00 0.00 N ATOM 848 CA ASN A 57 15.753 -3.508 -25.372 1.00 0.00 C ATOM 849 C ASN A 57 17.019 -2.755 -24.976 1.00 0.00 C ATOM 850 O ASN A 57 17.819 -2.370 -25.830 1.00 0.00 O ATOM 851 CB ASN A 57 14.648 -2.515 -25.735 1.00 0.00 C ATOM 852 CG ASN A 57 14.219 -2.630 -27.185 1.00 0.00 C ATOM 853 OD1 ASN A 57 15.045 -2.847 -28.072 1.00 0.00 O ATOM 854 ND2 ASN A 57 12.923 -2.485 -27.432 1.00 0.00 N ATOM 0 H ASN A 57 14.412 -4.131 -23.885 1.00 0.00 H new ATOM 0 HA ASN A 57 15.976 -4.126 -26.241 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.786 -2.684 -25.090 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.997 -1.501 -25.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.575 -2.552 -28.389 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.275 -2.306 -26.665 1.00 0.00 H new ATOM 861 N LEU A 58 17.196 -2.548 -23.675 1.00 0.00 N ATOM 862 CA LEU A 58 18.365 -1.841 -23.165 1.00 0.00 C ATOM 863 C LEU A 58 19.132 -2.705 -22.169 1.00 0.00 C ATOM 864 O LEU A 58 19.084 -2.489 -20.957 1.00 0.00 O ATOM 865 CB LEU A 58 17.943 -0.529 -22.500 1.00 0.00 C ATOM 866 CG LEU A 58 17.139 0.436 -23.372 1.00 0.00 C ATOM 867 CD1 LEU A 58 17.680 0.449 -24.793 1.00 0.00 C ATOM 868 CD2 LEU A 58 15.664 0.061 -23.364 1.00 0.00 C ATOM 0 H LEU A 58 16.545 -2.860 -22.955 1.00 0.00 H new ATOM 0 HA LEU A 58 19.021 -1.620 -24.007 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.352 -0.767 -21.616 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.840 -0.015 -22.155 1.00 0.00 H new ATOM 0 HG LEU A 58 17.240 1.439 -22.958 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.095 1.141 -25.399 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.722 0.767 -24.783 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.611 -0.552 -25.218 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.108 0.759 -23.990 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.544 -0.950 -23.753 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.283 0.105 -22.344 1.00 0.00 H new ATOM 880 N PRO A 59 19.857 -3.706 -22.689 1.00 0.00 N ATOM 881 CA PRO A 59 20.650 -4.621 -21.863 1.00 0.00 C ATOM 882 C PRO A 59 21.861 -3.937 -21.239 1.00 0.00 C ATOM 883 O PRO A 59 21.823 -3.524 -20.080 1.00 0.00 O ATOM 884 CB PRO A 59 21.097 -5.698 -22.855 1.00 0.00 C ATOM 885 CG PRO A 59 21.082 -5.020 -24.181 1.00 0.00 C ATOM 886 CD PRO A 59 19.960 -4.021 -24.123 1.00 0.00 C ATOM 0 HA PRO A 59 20.077 -5.009 -21.021 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.092 -6.071 -22.612 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.423 -6.554 -22.840 1.00 0.00 H new ATOM 0 HG2 PRO A 59 22.034 -4.527 -24.378 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.923 -5.739 -24.985 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.182 -3.133 -24.714 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.030 -4.438 -24.511 1.00 0.00 H new ATOM 894 N GLU A 60 22.934 -3.820 -22.015 1.00 0.00 N ATOM 895 CA GLU A 60 24.157 -3.185 -21.536 1.00 0.00 C ATOM 896 C GLU A 60 23.912 -1.716 -21.201 1.00 0.00 C ATOM 897 O GLU A 60 24.757 -1.057 -20.595 1.00 0.00 O ATOM 898 CB GLU A 60 25.264 -3.302 -22.586 1.00 0.00 C ATOM 899 CG GLU A 60 24.885 -2.719 -23.937 1.00 0.00 C ATOM 900 CD GLU A 60 26.073 -2.590 -24.871 1.00 0.00 C ATOM 901 OE1 GLU A 60 27.046 -1.899 -24.500 1.00 0.00 O ATOM 902 OE2 GLU A 60 26.031 -3.180 -25.971 1.00 0.00 O ATOM 0 H GLU A 60 22.982 -4.156 -22.977 1.00 0.00 H new ATOM 0 HA GLU A 60 24.471 -3.700 -20.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.157 -2.796 -22.219 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.523 -4.353 -22.713 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.129 -3.351 -24.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 24.434 -1.737 -23.791 1.00 0.00 H new ATOM 909 N VAL A 61 22.750 -1.210 -21.602 1.00 0.00 N ATOM 910 CA VAL A 61 22.393 0.180 -21.344 1.00 0.00 C ATOM 911 C VAL A 61 21.665 0.323 -20.012 1.00 0.00 C ATOM 912 O VAL A 61 22.102 1.063 -19.130 1.00 0.00 O ATOM 913 CB VAL A 61 21.504 0.748 -22.466 1.00 0.00 C ATOM 914 CG1 VAL A 61 20.860 2.055 -22.028 1.00 0.00 C ATOM 915 CG2 VAL A 61 22.313 0.943 -23.740 1.00 0.00 C ATOM 0 H VAL A 61 22.040 -1.741 -22.106 1.00 0.00 H new ATOM 0 HA VAL A 61 23.325 0.744 -21.307 1.00 0.00 H new ATOM 0 HB VAL A 61 20.709 0.031 -22.674 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.236 2.441 -22.834 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.245 1.880 -21.145 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.637 2.782 -21.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.669 1.345 -24.522 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.130 1.639 -23.549 1.00 0.00 H new ATOM 0 HG23 VAL A 61 22.721 -0.015 -24.062 1.00 0.00 H new ATOM 925 N LEU A 62 20.554 -0.391 -19.873 1.00 0.00 N ATOM 926 CA LEU A 62 19.764 -0.345 -18.647 1.00 0.00 C ATOM 927 C LEU A 62 20.066 -1.548 -17.759 1.00 0.00 C ATOM 928 O LEU A 62 20.564 -1.400 -16.643 1.00 0.00 O ATOM 929 CB LEU A 62 18.272 -0.304 -18.979 1.00 0.00 C ATOM 930 CG LEU A 62 17.433 0.693 -18.178 1.00 0.00 C ATOM 931 CD1 LEU A 62 17.694 0.533 -16.688 1.00 0.00 C ATOM 932 CD2 LEU A 62 17.727 2.118 -18.623 1.00 0.00 C ATOM 0 H LEU A 62 20.179 -1.009 -20.593 1.00 0.00 H new ATOM 0 HA LEU A 62 20.034 0.561 -18.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.162 -0.072 -20.038 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.859 -1.301 -18.827 1.00 0.00 H new ATOM 0 HG LEU A 62 16.380 0.486 -18.366 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.089 1.250 -16.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.431 -0.479 -16.379 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.749 0.713 -16.482 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.121 2.813 -18.042 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.783 2.338 -18.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.488 2.225 -19.681 1.00 0.00 H new ATOM 944 N ARG A 63 19.763 -2.740 -18.264 1.00 0.00 N ATOM 945 CA ARG A 63 20.002 -3.969 -17.517 1.00 0.00 C ATOM 946 C ARG A 63 21.368 -3.935 -16.839 1.00 0.00 C ATOM 947 O ARG A 63 21.552 -4.499 -15.760 1.00 0.00 O ATOM 948 CB ARG A 63 19.912 -5.181 -18.447 1.00 0.00 C ATOM 949 CG ARG A 63 18.544 -5.358 -19.086 1.00 0.00 C ATOM 950 CD ARG A 63 17.465 -5.580 -18.038 1.00 0.00 C ATOM 951 NE ARG A 63 17.050 -6.979 -17.968 1.00 0.00 N ATOM 952 CZ ARG A 63 16.143 -7.518 -18.775 1.00 0.00 C ATOM 953 NH1 ARG A 63 15.559 -6.780 -19.708 1.00 0.00 N ATOM 954 NH2 ARG A 63 15.819 -8.799 -18.649 1.00 0.00 N ATOM 0 H ARG A 63 19.352 -2.880 -19.187 1.00 0.00 H new ATOM 0 HA ARG A 63 19.235 -4.053 -16.747 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.661 -5.082 -19.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.159 -6.080 -17.883 1.00 0.00 H new ATOM 0 HG2 ARG A 63 18.301 -4.476 -19.679 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.568 -6.206 -19.771 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.835 -5.262 -17.063 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.601 -4.957 -18.269 1.00 0.00 H new ATOM 0 HE ARG A 63 17.480 -7.575 -17.261 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.806 -5.795 -19.808 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.863 -7.197 -20.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.267 -9.370 -17.932 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.122 -9.212 -19.269 1.00 0.00 H new ATOM 968 N LYS A 64 22.325 -3.271 -17.479 1.00 0.00 N ATOM 969 CA LYS A 64 23.675 -3.163 -16.938 1.00 0.00 C ATOM 970 C LYS A 64 23.713 -2.195 -15.760 1.00 0.00 C ATOM 971 O LYS A 64 24.273 -2.503 -14.709 1.00 0.00 O ATOM 972 CB LYS A 64 24.646 -2.697 -18.025 1.00 0.00 C ATOM 973 CG LYS A 64 25.985 -2.228 -17.484 1.00 0.00 C ATOM 974 CD LYS A 64 26.913 -1.782 -18.602 1.00 0.00 C ATOM 975 CE LYS A 64 26.945 -0.266 -18.728 1.00 0.00 C ATOM 976 NZ LYS A 64 27.530 0.170 -20.026 1.00 0.00 N ATOM 0 H LYS A 64 22.190 -2.799 -18.373 1.00 0.00 H new ATOM 0 HA LYS A 64 23.978 -4.149 -16.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 24.813 -3.515 -18.726 1.00 0.00 H new ATOM 0 HB3 LYS A 64 24.186 -1.884 -18.587 1.00 0.00 H new ATOM 0 HG2 LYS A 64 25.829 -1.403 -16.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 26.454 -3.035 -16.921 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.920 -2.154 -18.411 1.00 0.00 H new ATOM 0 HD3 LYS A 64 26.585 -2.220 -19.545 1.00 0.00 H new ATOM 0 HE2 LYS A 64 25.933 0.128 -18.635 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.527 0.154 -17.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.707 1.195 -20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.426 -0.332 -20.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.866 -0.048 -20.796 1.00 0.00 H new ATOM 990 N ASN A 65 23.111 -1.024 -15.942 1.00 0.00 N ATOM 991 CA ASN A 65 23.075 -0.011 -14.893 1.00 0.00 C ATOM 992 C ASN A 65 22.208 -0.469 -13.724 1.00 0.00 C ATOM 993 O ASN A 65 22.650 -0.477 -12.574 1.00 0.00 O ATOM 994 CB ASN A 65 22.544 1.311 -15.449 1.00 0.00 C ATOM 995 CG ASN A 65 23.614 2.105 -16.175 1.00 0.00 C ATOM 996 OD1 ASN A 65 23.964 3.212 -15.767 1.00 0.00 O ATOM 997 ND2 ASN A 65 24.138 1.540 -17.256 1.00 0.00 N ATOM 0 H ASN A 65 22.641 -0.753 -16.806 1.00 0.00 H new ATOM 0 HA ASN A 65 24.092 0.138 -14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 65 21.719 1.109 -16.132 1.00 0.00 H new ATOM 0 HB3 ASN A 65 22.142 1.910 -14.632 1.00 0.00 H new ATOM 0 HD21 ASN A 65 24.862 2.026 -17.785 1.00 0.00 H new ATOM 0 HD22 ASN A 65 23.817 0.620 -17.557 1.00 0.00 H new ATOM 1004 N LEU A 66 20.972 -0.850 -14.026 1.00 0.00 N ATOM 1005 CA LEU A 66 20.042 -1.311 -13.001 1.00 0.00 C ATOM 1006 C LEU A 66 20.585 -2.544 -12.287 1.00 0.00 C ATOM 1007 O LEU A 66 20.223 -2.822 -11.144 1.00 0.00 O ATOM 1008 CB LEU A 66 18.681 -1.626 -13.624 1.00 0.00 C ATOM 1009 CG LEU A 66 18.648 -2.795 -14.609 1.00 0.00 C ATOM 1010 CD1 LEU A 66 18.542 -4.117 -13.865 1.00 0.00 C ATOM 1011 CD2 LEU A 66 17.493 -2.637 -15.587 1.00 0.00 C ATOM 0 H LEU A 66 20.590 -0.849 -14.972 1.00 0.00 H new ATOM 0 HA LEU A 66 19.923 -0.513 -12.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.975 -1.835 -12.820 1.00 0.00 H new ATOM 0 HB3 LEU A 66 18.324 -0.734 -14.138 1.00 0.00 H new ATOM 0 HG LEU A 66 19.579 -2.794 -15.175 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.520 -4.937 -14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.403 -4.234 -13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.627 -4.129 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.486 -3.478 -16.280 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.552 -2.611 -15.038 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.613 -1.708 -16.145 1.00 0.00 H new ATOM 1023 N ASN A 67 21.458 -3.279 -12.968 1.00 0.00 N ATOM 1024 CA ASN A 67 22.053 -4.482 -12.397 1.00 0.00 C ATOM 1025 C ASN A 67 22.572 -4.216 -10.987 1.00 0.00 C ATOM 1026 O ASN A 67 22.470 -5.070 -10.107 1.00 0.00 O ATOM 1027 CB ASN A 67 23.193 -4.983 -13.286 1.00 0.00 C ATOM 1028 CG ASN A 67 23.079 -6.464 -13.594 1.00 0.00 C ATOM 1029 OD1 ASN A 67 23.302 -7.308 -12.727 1.00 0.00 O ATOM 1030 ND2 ASN A 67 22.730 -6.785 -14.835 1.00 0.00 N ATOM 0 H ASN A 67 21.769 -3.063 -13.915 1.00 0.00 H new ATOM 0 HA ASN A 67 21.280 -5.249 -12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 67 23.196 -4.420 -14.219 1.00 0.00 H new ATOM 0 HB3 ASN A 67 24.146 -4.790 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.637 -7.765 -15.101 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.555 -6.051 -15.521 1.00 0.00 H new ATOM 1037 N GLU A 68 23.129 -3.027 -10.782 1.00 0.00 N ATOM 1038 CA GLU A 68 23.664 -2.649 -9.479 1.00 0.00 C ATOM 1039 C GLU A 68 22.749 -1.643 -8.786 1.00 0.00 C ATOM 1040 O GLU A 68 23.045 -1.174 -7.687 1.00 0.00 O ATOM 1041 CB GLU A 68 25.067 -2.059 -9.631 1.00 0.00 C ATOM 1042 CG GLU A 68 25.173 -1.014 -10.729 1.00 0.00 C ATOM 1043 CD GLU A 68 26.480 -0.247 -10.681 1.00 0.00 C ATOM 1044 OE1 GLU A 68 26.626 0.620 -9.793 1.00 0.00 O ATOM 1045 OE2 GLU A 68 27.356 -0.514 -11.529 1.00 0.00 O ATOM 0 H GLU A 68 23.222 -2.309 -11.501 1.00 0.00 H new ATOM 0 HA GLU A 68 23.720 -3.547 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.368 -1.611 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 25.770 -2.865 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 68 25.078 -1.501 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.342 -0.314 -10.641 1.00 0.00 H new ATOM 1052 N SER A 69 21.637 -1.317 -9.437 1.00 0.00 N ATOM 1053 CA SER A 69 20.681 -0.363 -8.887 1.00 0.00 C ATOM 1054 C SER A 69 19.341 -1.037 -8.609 1.00 0.00 C ATOM 1055 O SER A 69 18.302 -0.379 -8.552 1.00 0.00 O ATOM 1056 CB SER A 69 20.486 0.809 -9.850 1.00 0.00 C ATOM 1057 OG SER A 69 20.255 2.016 -9.145 1.00 0.00 O ATOM 0 H SER A 69 21.376 -1.699 -10.346 1.00 0.00 H new ATOM 0 HA SER A 69 21.081 0.013 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.368 0.916 -10.481 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.644 0.604 -10.511 1.00 0.00 H new ATOM 0 HG SER A 69 20.135 2.750 -9.783 1.00 0.00 H new ATOM 1063 N VAL A 70 19.372 -2.355 -8.437 1.00 0.00 N ATOM 1064 CA VAL A 70 18.161 -3.119 -8.164 1.00 0.00 C ATOM 1065 C VAL A 70 17.656 -2.862 -6.749 1.00 0.00 C ATOM 1066 O VAL A 70 17.609 -3.771 -5.921 1.00 0.00 O ATOM 1067 CB VAL A 70 18.399 -4.630 -8.345 1.00 0.00 C ATOM 1068 CG1 VAL A 70 17.089 -5.395 -8.230 1.00 0.00 C ATOM 1069 CG2 VAL A 70 19.071 -4.907 -9.681 1.00 0.00 C ATOM 0 H VAL A 70 20.223 -2.916 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 70 17.409 -2.788 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 70 19.063 -4.973 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.277 -6.461 -8.361 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.652 -5.222 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.398 -5.052 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 70 19.232 -5.979 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.434 -4.550 -10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 70 20.030 -4.391 -9.720 1.00 0.00 H new ATOM 1079 N GLN A 71 17.278 -1.616 -6.479 1.00 0.00 N ATOM 1080 CA GLN A 71 16.775 -1.239 -5.164 1.00 0.00 C ATOM 1081 C GLN A 71 15.302 -1.607 -5.017 1.00 0.00 C ATOM 1082 O GLN A 71 14.922 -2.426 -4.181 1.00 0.00 O ATOM 1083 CB GLN A 71 16.963 0.262 -4.934 1.00 0.00 C ATOM 1084 CG GLN A 71 18.111 0.594 -3.994 1.00 0.00 C ATOM 1085 CD GLN A 71 19.465 0.499 -4.670 1.00 0.00 C ATOM 1086 OE1 GLN A 71 19.998 1.494 -5.161 1.00 0.00 O ATOM 1087 NE2 GLN A 71 20.030 -0.703 -4.697 1.00 0.00 N ATOM 0 H GLN A 71 17.311 -0.851 -7.153 1.00 0.00 H new ATOM 0 HA GLN A 71 17.344 -1.789 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.137 0.749 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.040 0.677 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.975 1.602 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.086 -0.085 -3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.552 -1.501 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.942 -0.828 -5.137 1.00 0.00 H new ATOM 1096 N PRO A 72 14.452 -0.988 -5.850 1.00 0.00 N ATOM 1097 CA PRO A 72 13.007 -1.235 -5.832 1.00 0.00 C ATOM 1098 C PRO A 72 12.651 -2.627 -6.345 1.00 0.00 C ATOM 1099 O PRO A 72 13.525 -3.473 -6.536 1.00 0.00 O ATOM 1100 CB PRO A 72 12.452 -0.161 -6.771 1.00 0.00 C ATOM 1101 CG PRO A 72 13.582 0.161 -7.687 1.00 0.00 C ATOM 1102 CD PRO A 72 14.835 0.000 -6.872 1.00 0.00 C ATOM 0 HA PRO A 72 12.598 -1.191 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.586 -0.527 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.128 0.720 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.588 -0.507 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.495 1.177 -8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.668 -0.353 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.146 0.943 -6.423 1.00 0.00 H new ATOM 1110 N THR A 73 11.360 -2.858 -6.566 1.00 0.00 N ATOM 1111 CA THR A 73 10.888 -4.147 -7.056 1.00 0.00 C ATOM 1112 C THR A 73 10.543 -4.079 -8.539 1.00 0.00 C ATOM 1113 O THR A 73 9.399 -3.816 -8.909 1.00 0.00 O ATOM 1114 CB THR A 73 9.650 -4.626 -6.274 1.00 0.00 C ATOM 1115 OG1 THR A 73 9.746 -4.215 -4.906 1.00 0.00 O ATOM 1116 CG2 THR A 73 9.517 -6.140 -6.346 1.00 0.00 C ATOM 0 H THR A 73 10.623 -2.169 -6.413 1.00 0.00 H new ATOM 0 HA THR A 73 11.700 -4.858 -6.907 1.00 0.00 H new ATOM 0 HB THR A 73 8.766 -4.178 -6.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.955 -4.522 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.636 -6.455 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.415 -6.447 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.405 -6.604 -5.916 1.00 0.00 H new ATOM 1124 N VAL A 74 11.540 -4.318 -9.386 1.00 0.00 N ATOM 1125 CA VAL A 74 11.341 -4.285 -10.830 1.00 0.00 C ATOM 1126 C VAL A 74 11.034 -5.675 -11.374 1.00 0.00 C ATOM 1127 O VAL A 74 11.911 -6.352 -11.910 1.00 0.00 O ATOM 1128 CB VAL A 74 12.579 -3.724 -11.554 1.00 0.00 C ATOM 1129 CG1 VAL A 74 12.372 -3.746 -13.061 1.00 0.00 C ATOM 1130 CG2 VAL A 74 12.886 -2.315 -11.071 1.00 0.00 C ATOM 0 H VAL A 74 12.493 -4.537 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 74 10.491 -3.629 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 74 13.434 -4.358 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.257 -3.346 -13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 74 12.205 -4.771 -13.390 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.506 -3.136 -13.318 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.764 -1.934 -11.593 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.034 -1.667 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.081 -2.332 -9.999 1.00 0.00 H new ATOM 1140 N VAL A 75 9.781 -6.097 -11.232 1.00 0.00 N ATOM 1141 CA VAL A 75 9.356 -7.407 -11.711 1.00 0.00 C ATOM 1142 C VAL A 75 9.350 -7.459 -13.235 1.00 0.00 C ATOM 1143 O VAL A 75 8.410 -6.994 -13.878 1.00 0.00 O ATOM 1144 CB VAL A 75 7.952 -7.767 -11.190 1.00 0.00 C ATOM 1145 CG1 VAL A 75 7.552 -9.160 -11.652 1.00 0.00 C ATOM 1146 CG2 VAL A 75 7.904 -7.664 -9.673 1.00 0.00 C ATOM 0 H VAL A 75 9.043 -5.550 -10.789 1.00 0.00 H new ATOM 0 HA VAL A 75 10.074 -8.132 -11.328 1.00 0.00 H new ATOM 0 HB VAL A 75 7.237 -7.055 -11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.557 -9.397 -11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.544 -9.194 -12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.268 -9.889 -11.272 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.905 -7.922 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.630 -8.352 -9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.143 -6.645 -9.370 1.00 0.00 H new ATOM 1156 N ALA A 76 10.406 -8.030 -13.806 1.00 0.00 N ATOM 1157 CA ALA A 76 10.521 -8.146 -15.254 1.00 0.00 C ATOM 1158 C ALA A 76 9.827 -9.406 -15.761 1.00 0.00 C ATOM 1159 O ALA A 76 10.015 -10.494 -15.216 1.00 0.00 O ATOM 1160 CB ALA A 76 11.985 -8.146 -15.669 1.00 0.00 C ATOM 0 H ALA A 76 11.194 -8.419 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 76 10.027 -7.284 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.056 -8.233 -16.753 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.454 -7.216 -15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.495 -8.989 -15.203 1.00 0.00 H new ATOM 1166 N LEU A 77 9.022 -9.251 -16.807 1.00 0.00 N ATOM 1167 CA LEU A 77 8.298 -10.377 -17.387 1.00 0.00 C ATOM 1168 C LEU A 77 9.017 -10.908 -18.623 1.00 0.00 C ATOM 1169 O LEU A 77 8.729 -10.497 -19.746 1.00 0.00 O ATOM 1170 CB LEU A 77 6.873 -9.957 -17.754 1.00 0.00 C ATOM 1171 CG LEU A 77 5.880 -11.095 -17.997 1.00 0.00 C ATOM 1172 CD1 LEU A 77 4.989 -11.295 -16.781 1.00 0.00 C ATOM 1173 CD2 LEU A 77 5.041 -10.814 -19.235 1.00 0.00 C ATOM 0 H LEU A 77 8.854 -8.358 -17.270 1.00 0.00 H new ATOM 0 HA LEU A 77 8.256 -11.173 -16.643 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.484 -9.326 -16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.917 -9.342 -18.653 1.00 0.00 H new ATOM 0 HG LEU A 77 6.443 -12.014 -18.164 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.289 -12.108 -16.973 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.604 -11.542 -15.916 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.434 -10.378 -16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.340 -11.634 -19.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.488 -9.885 -19.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.693 -10.722 -20.103 1.00 0.00 H new ATOM 1185 N GLY A 78 9.954 -11.827 -18.407 1.00 0.00 N ATOM 1186 CA GLY A 78 10.698 -12.401 -19.513 1.00 0.00 C ATOM 1187 C GLY A 78 12.198 -12.299 -19.317 1.00 0.00 C ATOM 1188 O GLY A 78 12.666 -11.902 -18.251 1.00 0.00 O ATOM 0 H GLY A 78 10.211 -12.184 -17.487 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.420 -13.449 -19.629 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.420 -11.893 -20.437 1.00 0.00 H new ATOM 1192 N GLY A 79 12.954 -12.661 -20.349 1.00 0.00 N ATOM 1193 CA GLY A 79 14.402 -12.603 -20.265 1.00 0.00 C ATOM 1194 C GLY A 79 15.062 -12.597 -21.629 1.00 0.00 C ATOM 1195 O GLY A 79 15.521 -13.633 -22.109 1.00 0.00 O ATOM 0 H GLY A 79 12.590 -12.993 -21.242 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.696 -11.707 -19.719 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.764 -13.457 -19.693 1.00 0.00 H new ATOM 1199 N SER A 80 15.110 -11.426 -22.256 1.00 0.00 N ATOM 1200 CA SER A 80 15.714 -11.290 -23.576 1.00 0.00 C ATOM 1201 C SER A 80 16.748 -10.168 -23.588 1.00 0.00 C ATOM 1202 O SER A 80 16.454 -9.042 -23.987 1.00 0.00 O ATOM 1203 CB SER A 80 14.637 -11.018 -24.628 1.00 0.00 C ATOM 1204 OG SER A 80 13.691 -12.072 -24.674 1.00 0.00 O ATOM 0 H SER A 80 14.738 -10.558 -21.871 1.00 0.00 H new ATOM 0 HA SER A 80 16.217 -12.227 -23.816 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.130 -10.080 -24.400 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.102 -10.900 -25.607 1.00 0.00 H new ATOM 0 HG SER A 80 13.013 -11.873 -25.353 1.00 0.00 H new ATOM 1210 N GLY A 81 17.961 -10.484 -23.146 1.00 0.00 N ATOM 1211 CA GLY A 81 19.021 -9.493 -23.113 1.00 0.00 C ATOM 1212 C GLY A 81 20.390 -10.114 -22.920 1.00 0.00 C ATOM 1213 O GLY A 81 20.523 -11.151 -22.270 1.00 0.00 O ATOM 0 H GLY A 81 18.229 -11.409 -22.810 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.011 -8.924 -24.043 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.829 -8.787 -22.305 1.00 0.00 H new ATOM 1217 N SER A 82 21.411 -9.479 -23.487 1.00 0.00 N ATOM 1218 CA SER A 82 22.777 -9.979 -23.379 1.00 0.00 C ATOM 1219 C SER A 82 23.757 -9.034 -24.067 1.00 0.00 C ATOM 1220 O SER A 82 23.655 -8.781 -25.266 1.00 0.00 O ATOM 1221 CB SER A 82 22.881 -11.376 -23.994 1.00 0.00 C ATOM 1222 OG SER A 82 22.339 -11.399 -25.303 1.00 0.00 O ATOM 0 H SER A 82 21.318 -8.618 -24.026 1.00 0.00 H new ATOM 0 HA SER A 82 23.035 -10.035 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.925 -11.687 -24.024 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.353 -12.093 -23.366 1.00 0.00 H new ATOM 0 HG SER A 82 22.605 -10.586 -25.781 1.00 0.00 H new ATOM 1228 N GLY A 83 24.708 -8.515 -23.296 1.00 0.00 N ATOM 1229 CA GLY A 83 25.694 -7.603 -23.847 1.00 0.00 C ATOM 1230 C GLY A 83 27.011 -7.651 -23.098 1.00 0.00 C ATOM 1231 O GLY A 83 27.058 -7.398 -21.895 1.00 0.00 O ATOM 0 H GLY A 83 24.813 -8.710 -22.300 1.00 0.00 H new ATOM 0 HA2 GLY A 83 25.866 -7.849 -24.895 1.00 0.00 H new ATOM 0 HA3 GLY A 83 25.300 -6.587 -23.819 1.00 0.00 H new ATOM 1235 N SER A 84 28.083 -7.980 -23.811 1.00 0.00 N ATOM 1236 CA SER A 84 29.407 -8.066 -23.206 1.00 0.00 C ATOM 1237 C SER A 84 29.934 -6.678 -22.853 1.00 0.00 C ATOM 1238 O SER A 84 30.000 -5.791 -23.704 1.00 0.00 O ATOM 1239 CB SER A 84 30.381 -8.768 -24.154 1.00 0.00 C ATOM 1240 OG SER A 84 31.310 -9.561 -23.436 1.00 0.00 O ATOM 0 H SER A 84 28.061 -8.191 -24.809 1.00 0.00 H new ATOM 0 HA SER A 84 29.322 -8.648 -22.288 1.00 0.00 H new ATOM 0 HB2 SER A 84 29.826 -9.395 -24.852 1.00 0.00 H new ATOM 0 HB3 SER A 84 30.914 -8.025 -24.748 1.00 0.00 H new ATOM 0 HG SER A 84 31.920 -10.000 -24.065 1.00 0.00 H new ATOM 1246 N THR A 85 30.310 -6.498 -21.590 1.00 0.00 N ATOM 1247 CA THR A 85 30.831 -5.220 -21.123 1.00 0.00 C ATOM 1248 C THR A 85 32.136 -5.404 -20.358 1.00 0.00 C ATOM 1249 O THR A 85 32.132 -5.606 -19.144 1.00 0.00 O ATOM 1250 CB THR A 85 29.816 -4.498 -20.216 1.00 0.00 C ATOM 1251 OG1 THR A 85 28.488 -4.691 -20.717 1.00 0.00 O ATOM 1252 CG2 THR A 85 30.123 -3.010 -20.138 1.00 0.00 C ATOM 0 H THR A 85 30.263 -7.222 -20.873 1.00 0.00 H new ATOM 0 HA THR A 85 31.015 -4.611 -22.008 1.00 0.00 H new ATOM 0 HB THR A 85 29.891 -4.921 -19.214 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.848 -4.231 -20.134 1.00 0.00 H new ATOM 0 HG21 THR A 85 29.393 -2.521 -19.492 1.00 0.00 H new ATOM 0 HG22 THR A 85 31.123 -2.866 -19.730 1.00 0.00 H new ATOM 0 HG23 THR A 85 30.073 -2.575 -21.136 1.00 0.00 H new ATOM 1260 N SER A 86 33.252 -5.334 -21.076 1.00 0.00 N ATOM 1261 CA SER A 86 34.566 -5.496 -20.465 1.00 0.00 C ATOM 1262 C SER A 86 35.246 -4.144 -20.271 1.00 0.00 C ATOM 1263 O SER A 86 34.853 -3.146 -20.875 1.00 0.00 O ATOM 1264 CB SER A 86 35.445 -6.403 -21.329 1.00 0.00 C ATOM 1265 OG SER A 86 35.438 -7.734 -20.843 1.00 0.00 O ATOM 0 H SER A 86 33.273 -5.166 -22.082 1.00 0.00 H new ATOM 0 HA SER A 86 34.430 -5.958 -19.487 1.00 0.00 H new ATOM 0 HB2 SER A 86 35.088 -6.387 -22.359 1.00 0.00 H new ATOM 0 HB3 SER A 86 36.466 -6.022 -21.340 1.00 0.00 H new ATOM 0 HG SER A 86 36.006 -8.293 -21.413 1.00 0.00 H new ATOM 1271 N LEU A 87 36.269 -4.120 -19.424 1.00 0.00 N ATOM 1272 CA LEU A 87 37.006 -2.891 -19.149 1.00 0.00 C ATOM 1273 C LEU A 87 38.177 -3.158 -18.208 1.00 0.00 C ATOM 1274 O LEU A 87 38.163 -4.120 -17.441 1.00 0.00 O ATOM 1275 CB LEU A 87 36.075 -1.842 -18.538 1.00 0.00 C ATOM 1276 CG LEU A 87 36.225 -0.418 -19.076 1.00 0.00 C ATOM 1277 CD1 LEU A 87 35.055 -0.063 -19.980 1.00 0.00 C ATOM 1278 CD2 LEU A 87 36.336 0.576 -17.930 1.00 0.00 C ATOM 0 H LEU A 87 36.607 -4.937 -18.916 1.00 0.00 H new ATOM 0 HA LEU A 87 37.400 -2.513 -20.092 1.00 0.00 H new ATOM 0 HB2 LEU A 87 35.045 -2.162 -18.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 36.240 -1.822 -17.461 1.00 0.00 H new ATOM 0 HG LEU A 87 37.141 -0.367 -19.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 35.179 0.954 -20.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.021 -0.756 -20.820 1.00 0.00 H new ATOM 0 HD13 LEU A 87 34.125 -0.131 -19.415 1.00 0.00 H new ATOM 0 HD21 LEU A 87 36.442 1.584 -18.331 1.00 0.00 H new ATOM 0 HD22 LEU A 87 35.438 0.523 -17.314 1.00 0.00 H new ATOM 0 HD23 LEU A 87 37.208 0.334 -17.322 1.00 0.00 H new ATOM 1290 N ARG A 88 39.188 -2.297 -18.273 1.00 0.00 N ATOM 1291 CA ARG A 88 40.367 -2.439 -17.426 1.00 0.00 C ATOM 1292 C ARG A 88 41.235 -1.186 -17.489 1.00 0.00 C ATOM 1293 O ARG A 88 41.479 -0.642 -18.565 1.00 0.00 O ATOM 1294 CB ARG A 88 41.184 -3.660 -17.853 1.00 0.00 C ATOM 1295 CG ARG A 88 41.957 -4.304 -16.714 1.00 0.00 C ATOM 1296 CD ARG A 88 43.283 -4.874 -17.193 1.00 0.00 C ATOM 1297 NE ARG A 88 44.418 -4.285 -16.489 1.00 0.00 N ATOM 1298 CZ ARG A 88 44.708 -4.542 -15.218 1.00 0.00 C ATOM 1299 NH1 ARG A 88 43.951 -5.374 -14.517 1.00 0.00 N ATOM 1300 NH2 ARG A 88 45.759 -3.967 -14.647 1.00 0.00 N ATOM 0 H ARG A 88 39.214 -1.495 -18.902 1.00 0.00 H new ATOM 0 HA ARG A 88 40.031 -2.577 -16.398 1.00 0.00 H new ATOM 0 HB2 ARG A 88 40.514 -4.400 -18.290 1.00 0.00 H new ATOM 0 HB3 ARG A 88 41.884 -3.363 -18.634 1.00 0.00 H new ATOM 0 HG2 ARG A 88 42.138 -3.566 -15.933 1.00 0.00 H new ATOM 0 HG3 ARG A 88 41.358 -5.098 -16.269 1.00 0.00 H new ATOM 0 HD2 ARG A 88 43.287 -5.954 -17.047 1.00 0.00 H new ATOM 0 HD3 ARG A 88 43.388 -4.696 -18.263 1.00 0.00 H new ATOM 0 HE ARG A 88 45.021 -3.641 -17.001 1.00 0.00 H new ATOM 0 HH11 ARG A 88 43.143 -5.819 -14.953 1.00 0.00 H new ATOM 0 HH12 ARG A 88 44.176 -5.569 -13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 88 46.345 -3.327 -15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 88 45.981 -4.165 -13.671 1.00 0.00 H new ATOM 1314 N GLU A 89 41.697 -0.734 -16.327 1.00 0.00 N ATOM 1315 CA GLU A 89 42.536 0.456 -16.250 1.00 0.00 C ATOM 1316 C GLU A 89 43.117 0.623 -14.849 1.00 0.00 C ATOM 1317 O GLU A 89 42.386 0.842 -13.883 1.00 0.00 O ATOM 1318 CB GLU A 89 41.731 1.700 -16.632 1.00 0.00 C ATOM 1319 CG GLU A 89 40.443 1.858 -15.842 1.00 0.00 C ATOM 1320 CD GLU A 89 40.457 3.077 -14.940 1.00 0.00 C ATOM 1321 OE1 GLU A 89 40.300 4.202 -15.458 1.00 0.00 O ATOM 1322 OE2 GLU A 89 40.626 2.904 -13.714 1.00 0.00 O ATOM 0 H GLU A 89 41.504 -1.174 -15.427 1.00 0.00 H new ATOM 0 HA GLU A 89 43.360 0.335 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 89 42.351 2.584 -16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 89 41.492 1.656 -17.695 1.00 0.00 H new ATOM 0 HG2 GLU A 89 39.604 1.932 -16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 89 40.280 0.966 -15.238 1.00 0.00 H new ATOM 1329 N LYS A 90 44.437 0.518 -14.746 1.00 0.00 N ATOM 1330 CA LYS A 90 45.119 0.657 -13.465 1.00 0.00 C ATOM 1331 C LYS A 90 46.633 0.647 -13.650 1.00 0.00 C ATOM 1332 O LYS A 90 47.254 -0.415 -13.709 1.00 0.00 O ATOM 1333 CB LYS A 90 44.703 -0.470 -12.517 1.00 0.00 C ATOM 1334 CG LYS A 90 44.692 -0.062 -11.054 1.00 0.00 C ATOM 1335 CD LYS A 90 43.276 0.037 -10.514 1.00 0.00 C ATOM 1336 CE LYS A 90 43.096 1.271 -9.644 1.00 0.00 C ATOM 1337 NZ LYS A 90 42.223 0.999 -8.468 1.00 0.00 N ATOM 0 H LYS A 90 45.057 0.337 -15.536 1.00 0.00 H new ATOM 0 HA LYS A 90 44.830 1.614 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 90 43.709 -0.819 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 90 45.384 -1.311 -12.646 1.00 0.00 H new ATOM 0 HG2 LYS A 90 45.256 -0.788 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 90 45.194 0.899 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 90 42.570 0.070 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 90 43.044 -0.856 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 90 44.070 1.618 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 90 42.663 2.075 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 42.125 1.865 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 41.285 0.692 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 42.648 0.250 -7.886 1.00 0.00 H new ATOM 1351 N ILE A 91 47.221 1.835 -13.740 1.00 0.00 N ATOM 1352 CA ILE A 91 48.663 1.962 -13.915 1.00 0.00 C ATOM 1353 C ILE A 91 49.417 1.274 -12.783 1.00 0.00 C ATOM 1354 O ILE A 91 50.393 0.561 -13.016 1.00 0.00 O ATOM 1355 CB ILE A 91 49.094 3.439 -13.981 1.00 0.00 C ATOM 1356 CG1 ILE A 91 48.309 4.174 -15.070 1.00 0.00 C ATOM 1357 CG2 ILE A 91 50.590 3.544 -14.237 1.00 0.00 C ATOM 1358 CD1 ILE A 91 48.565 3.643 -16.462 1.00 0.00 C ATOM 0 H ILE A 91 46.722 2.723 -13.695 1.00 0.00 H new ATOM 0 HA ILE A 91 48.910 1.477 -14.860 1.00 0.00 H new ATOM 0 HB ILE A 91 48.876 3.909 -13.022 1.00 0.00 H new ATOM 0 HG12 ILE A 91 47.244 4.099 -14.852 1.00 0.00 H new ATOM 0 HG13 ILE A 91 48.567 5.233 -15.041 1.00 0.00 H new ATOM 0 HG21 ILE A 91 50.879 4.594 -14.281 1.00 0.00 H new ATOM 0 HG22 ILE A 91 51.133 3.052 -13.430 1.00 0.00 H new ATOM 0 HG23 ILE A 91 50.832 3.061 -15.184 1.00 0.00 H new ATOM 0 HD11 ILE A 91 47.976 4.211 -17.182 1.00 0.00 H new ATOM 0 HD12 ILE A 91 49.624 3.743 -16.700 1.00 0.00 H new ATOM 0 HD13 ILE A 91 48.280 2.592 -16.509 1.00 0.00 H new ATOM 1370 N LYS A 92 48.958 1.491 -11.555 1.00 0.00 N ATOM 1371 CA LYS A 92 49.586 0.890 -10.385 1.00 0.00 C ATOM 1372 C LYS A 92 50.910 1.576 -10.066 1.00 0.00 C ATOM 1373 O LYS A 92 51.074 2.161 -8.995 1.00 0.00 O ATOM 1374 CB LYS A 92 49.816 -0.605 -10.616 1.00 0.00 C ATOM 1375 CG LYS A 92 49.618 -1.451 -9.370 1.00 0.00 C ATOM 1376 CD LYS A 92 50.575 -1.045 -8.262 1.00 0.00 C ATOM 1377 CE LYS A 92 52.016 -1.376 -8.622 1.00 0.00 C ATOM 1378 NZ LYS A 92 52.938 -1.164 -7.472 1.00 0.00 N ATOM 0 H LYS A 92 48.152 2.080 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 92 48.916 1.021 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 92 49.135 -0.953 -11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 92 50.829 -0.755 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 92 48.591 -1.350 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 92 49.769 -2.502 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 92 50.482 0.025 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 92 50.303 -1.556 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.079 -2.413 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 92 52.333 -0.755 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 53.910 -1.400 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.897 -0.169 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 52.652 -1.775 -6.680 1.00 0.00 H new ATOM 1392 N GLN A 93 51.851 1.501 -11.002 1.00 0.00 N ATOM 1393 CA GLN A 93 53.160 2.116 -10.819 1.00 0.00 C ATOM 1394 C GLN A 93 53.027 3.610 -10.547 1.00 0.00 C ATOM 1395 O GLN A 93 53.905 4.221 -9.938 1.00 0.00 O ATOM 1396 CB GLN A 93 54.032 1.887 -12.056 1.00 0.00 C ATOM 1397 CG GLN A 93 55.517 1.794 -11.744 1.00 0.00 C ATOM 1398 CD GLN A 93 56.305 2.960 -12.307 1.00 0.00 C ATOM 1399 OE1 GLN A 93 55.807 4.084 -12.378 1.00 0.00 O ATOM 1400 NE2 GLN A 93 57.543 2.699 -12.711 1.00 0.00 N ATOM 0 H GLN A 93 51.731 1.021 -11.894 1.00 0.00 H new ATOM 0 HA GLN A 93 53.635 1.649 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 93 53.714 0.968 -12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 93 53.868 2.701 -12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 93 55.656 1.754 -10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 93 55.912 0.863 -12.150 1.00 0.00 H new ATOM 0 HE21 GLN A 93 57.916 1.753 -12.634 1.00 0.00 H new ATOM 0 HE22 GLN A 93 58.121 3.445 -13.098 1.00 0.00 H new ATOM 1409 N ALA A 94 51.923 4.193 -11.002 1.00 0.00 N ATOM 1410 CA ALA A 94 51.674 5.616 -10.806 1.00 0.00 C ATOM 1411 C ALA A 94 51.789 5.996 -9.334 1.00 0.00 C ATOM 1412 O ALA A 94 52.122 7.133 -9.000 1.00 0.00 O ATOM 1413 CB ALA A 94 50.300 5.990 -11.344 1.00 0.00 C ATOM 0 H ALA A 94 51.187 3.702 -11.509 1.00 0.00 H new ATOM 0 HA ALA A 94 52.432 6.172 -11.358 1.00 0.00 H new ATOM 0 HB1 ALA A 94 50.127 7.055 -11.191 1.00 0.00 H new ATOM 0 HB2 ALA A 94 50.252 5.764 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 94 49.535 5.419 -10.817 1.00 0.00 H new ATOM 1419 N VAL A 95 51.509 5.037 -8.457 1.00 0.00 N ATOM 1420 CA VAL A 95 51.582 5.271 -7.019 1.00 0.00 C ATOM 1421 C VAL A 95 52.988 5.685 -6.600 1.00 0.00 C ATOM 1422 O VAL A 95 53.183 6.268 -5.535 1.00 0.00 O ATOM 1423 CB VAL A 95 51.169 4.017 -6.225 1.00 0.00 C ATOM 1424 CG1 VAL A 95 49.778 3.559 -6.636 1.00 0.00 C ATOM 1425 CG2 VAL A 95 52.186 2.903 -6.423 1.00 0.00 C ATOM 0 H VAL A 95 51.230 4.091 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 95 50.887 6.080 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 95 51.143 4.271 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 95 49.503 2.672 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 95 49.060 4.355 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 95 49.773 3.321 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 95 51.879 2.025 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 95 52.245 2.648 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 95 53.163 3.237 -6.075 1.00 0.00 H new ATOM 1435 N GLY A 96 53.966 5.379 -7.447 1.00 0.00 N ATOM 1436 CA GLY A 96 55.343 5.727 -7.147 1.00 0.00 C ATOM 1437 C GLY A 96 55.506 7.191 -6.790 1.00 0.00 C ATOM 1438 O GLY A 96 56.418 7.559 -6.050 1.00 0.00 O ATOM 0 H GLY A 96 53.830 4.897 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 96 55.698 5.113 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 96 55.969 5.494 -8.008 1.00 0.00 H new ATOM 1442 N VAL A 97 54.621 8.029 -7.320 1.00 0.00 N ATOM 1443 CA VAL A 97 54.671 9.462 -7.054 1.00 0.00 C ATOM 1444 C VAL A 97 54.408 9.757 -5.582 1.00 0.00 C ATOM 1445 O VAL A 97 55.040 10.633 -4.991 1.00 0.00 O ATOM 1446 CB VAL A 97 53.646 10.228 -7.911 1.00 0.00 C ATOM 1447 CG1 VAL A 97 54.007 10.135 -9.386 1.00 0.00 C ATOM 1448 CG2 VAL A 97 52.242 9.698 -7.662 1.00 0.00 C ATOM 0 H VAL A 97 53.861 7.741 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 97 55.675 9.798 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 97 53.669 11.279 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 97 53.272 10.682 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 97 54.995 10.567 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 97 54.014 9.089 -9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 97 51.530 10.250 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 97 52.201 8.640 -7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 97 51.987 9.823 -6.610 1.00 0.00 H new ATOM 1458 N ASP A 98 53.472 9.020 -4.994 1.00 0.00 N ATOM 1459 CA ASP A 98 53.126 9.201 -3.589 1.00 0.00 C ATOM 1460 C ASP A 98 54.331 8.936 -2.694 1.00 0.00 C ATOM 1461 O ASP A 98 54.358 9.346 -1.533 1.00 0.00 O ATOM 1462 CB ASP A 98 51.973 8.274 -3.202 1.00 0.00 C ATOM 1463 CG ASP A 98 50.636 8.764 -3.722 1.00 0.00 C ATOM 1464 OD1 ASP A 98 50.423 9.994 -3.745 1.00 0.00 O ATOM 1465 OD2 ASP A 98 49.802 7.917 -4.107 1.00 0.00 O ATOM 0 H ASP A 98 52.939 8.291 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 98 52.813 10.235 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 98 52.167 7.275 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 98 51.928 8.189 -2.116 1.00 0.00 H new ATOM 1470 N LEU A 99 55.327 8.246 -3.240 1.00 0.00 N ATOM 1471 CA LEU A 99 56.536 7.924 -2.490 1.00 0.00 C ATOM 1472 C LEU A 99 57.129 9.175 -1.850 1.00 0.00 C ATOM 1473 O LEU A 99 57.379 9.208 -0.645 1.00 0.00 O ATOM 1474 CB LEU A 99 57.569 7.268 -3.408 1.00 0.00 C ATOM 1475 CG LEU A 99 58.775 6.633 -2.715 1.00 0.00 C ATOM 1476 CD1 LEU A 99 58.402 5.281 -2.127 1.00 0.00 C ATOM 1477 CD2 LEU A 99 59.936 6.490 -3.689 1.00 0.00 C ATOM 0 H LEU A 99 55.321 7.899 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 99 56.268 7.226 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 99 57.067 6.500 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.932 8.020 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 99 59.088 7.287 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 99 59.273 4.844 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 99 57.602 5.410 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 99 58.063 4.619 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 99 60.785 6.036 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 99 59.635 5.858 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 99 60.220 7.474 -4.063 1.00 0.00 H new ATOM 1489 N TRP A 100 57.350 10.201 -2.663 1.00 0.00 N ATOM 1490 CA TRP A 100 57.912 11.456 -2.176 1.00 0.00 C ATOM 1491 C TRP A 100 56.869 12.256 -1.403 1.00 0.00 C ATOM 1492 O TRP A 100 57.207 13.148 -0.625 1.00 0.00 O ATOM 1493 CB TRP A 100 58.448 12.286 -3.343 1.00 0.00 C ATOM 1494 CG TRP A 100 57.383 12.711 -4.308 1.00 0.00 C ATOM 1495 CD1 TRP A 100 56.317 13.524 -4.047 1.00 0.00 C ATOM 1496 CD2 TRP A 100 57.281 12.343 -5.688 1.00 0.00 C ATOM 1497 NE1 TRP A 100 55.558 13.683 -5.181 1.00 0.00 N ATOM 1498 CE2 TRP A 100 56.129 12.970 -6.202 1.00 0.00 C ATOM 1499 CE3 TRP A 100 58.051 11.547 -6.540 1.00 0.00 C ATOM 1500 CZ2 TRP A 100 55.731 12.823 -7.528 1.00 0.00 C ATOM 1501 CZ3 TRP A 100 57.655 11.402 -7.855 1.00 0.00 C ATOM 1502 CH2 TRP A 100 56.504 12.038 -8.340 1.00 0.00 C ATOM 0 H TRP A 100 57.149 10.189 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 100 58.734 11.219 -1.501 1.00 0.00 H new ATOM 0 HB2 TRP A 100 58.947 13.172 -2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 100 59.201 11.706 -3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 100 56.102 13.976 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 100 54.707 14.241 -5.251 1.00 0.00 H new ATOM 0 HE3 TRP A 100 58.940 11.054 -6.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 54.844 13.311 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 58.242 10.788 -8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 100 56.222 11.906 -9.374 1.00 0.00 H new ATOM 1513 N LYS A 101 55.599 11.931 -1.622 1.00 0.00 N ATOM 1514 CA LYS A 101 54.505 12.618 -0.946 1.00 0.00 C ATOM 1515 C LYS A 101 54.498 12.294 0.545 1.00 0.00 C ATOM 1516 O LYS A 101 55.280 11.466 1.013 1.00 0.00 O ATOM 1517 CB LYS A 101 53.165 12.225 -1.571 1.00 0.00 C ATOM 1518 CG LYS A 101 52.075 13.264 -1.376 1.00 0.00 C ATOM 1519 CD LYS A 101 50.703 12.620 -1.262 1.00 0.00 C ATOM 1520 CE LYS A 101 49.874 13.265 -0.163 1.00 0.00 C ATOM 1521 NZ LYS A 101 48.640 12.485 0.131 1.00 0.00 N ATOM 0 H LYS A 101 55.302 11.195 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 101 54.653 13.691 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 53.307 12.056 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 101 52.836 11.280 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 101 52.281 13.844 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 101 52.082 13.961 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 101 50.179 12.708 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 101 50.816 11.555 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 101 50.475 13.350 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 101 49.601 14.278 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 48.102 12.957 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 48.054 12.426 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 48.900 11.527 0.440 1.00 0.00 H new TER 1535 LYS A 101